메틸2-[(3-에톡시카르보닐-프로필)-(톨루엔-4-설포닐)-아미노]-벤조에이트

Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate

HCID 266879

기본 정보

CAS
100627-39-2
표준 SMILES
CCOC(=O)CCCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)cc1
InChIKey
MJSQCFDXCIVWRA-UHFFFAOYSA-N
분자식
C21H25NO6S
평균 분자량
419.5 g/mol
단동위원소 질량
419.14025869

이름 및 식별자

우선 이름
Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
IUPAC
methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate
현지명
메틸2-[(3-에톡시카르보닐-프로필)-(톨루엔-4-설포닐)-아미노]-벤조에이트
영어명
Methyl 2-[(3-ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoate
분자식
C21H25NO6S
분자량
419.49

이름 및 동의어

100627-39-2Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoateMethyl 2-[(3-ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoate2-[(3-Ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoic acid methyl esterMFCD00666419methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoateMETHYL 2-[N-(4-ETHOXY-4-OXOBUTYL)4-METHYLBENZENESULFONAMIDO]BENZOATEMJSQCFDXCIVWRA-UHFFFAOYSA-NNSC105685SCHEMBL1495969DTXSID50295843methyl 2-[(4-ethoxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]benzoate
이름 더 보기
메틸2-[(3-에톡시카르보닐-프로필)-(톨루엔-4-설포닐)-아미노]-벤조에이트-4-methylphenylsulfonamido)Methyl 2-(N-(4-ethoxy-4-oxobutyl)methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate(WXC02961)N-(3-Carboxypropyl)-N-(p-tolylsulfonyl)anthranilic acid N-ethyl 1-methyl ester2-[(3-Ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-aMino]-benzoicacidMethylester2-[(4-Ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester
AKOS022173234NSC-105685Benzoic acid, 2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]-, methyl esterAS-74093CS-0035685Methyl 2-[(4-ethoxy-4-oxobutyl)(4-methylbenzene-1-sulfonyl)amino]benzoateMethyl 2-[N-(4-ethoxy-4-oxobutyl)-4-methylbenzene-1-sulfonamido]benzoate

데이터베이스 식별자

CAS
100627-39-2
PubChem CID
266879
DTXSID
DTXSID50295843

물성

구조 계산 물성

XLogP
3.4
극성 표면적
98.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
29

물리화학적 성질

녹는점
98 · 98-100℃
밀도
1.24 · 1.24

화학 및 산업

공급사16 곳

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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]

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