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
- 형식 전하
- 0
- 복잡도
- 636
물리화학적 성질
- 녹는점
- 98 · 98-100℃
- 밀도
- 1.24 · 1.24
화학 및 산업
공급사16 곳
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