기본 정보
- CAS
188113-69-1- 표준 SMILES
Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/S(=O)(=O)c3ccccc3)cc12- InChIKey
JMROSCOXMGJMKR-FIBBSPRZSA-N- 분자식
- C22H25BrN2O2S
- 평균 분자량
- 461.4 g/mol
이름 및 식별자
- 우선 이름
- 5-(2-(Benzenesulfonyl)Vinyl)-3-(1-Methylpyrrolidin-2(R)-ylmethyl)-1H-Indole Hydr
- IUPAC
- 5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide
- 영어명
- 5-(2-(Benzenesulfonyl)Vinyl)-3-(1-Methylpyrrolidin-2(R)-ylmethyl)-1H-Indole Hydr
- 분자식
- C22H25BrN2O2S
- 분자량
- 461.42
이름 및 동의어
188113-69-15-(2-(Benzenesulfonyl)Vinyl)-3-(1-Methylpyrrolidin-2(R)-ylmethyl)-1H-Indole Hydr143577-60-0(r)-5-(2-benzenesulphonylethenyl)-3-(n-methylpyrrolidin-2-ylmethyl)-1h-indolehydrobromide5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromideSCHEMBL5058542-chloro-1-(4-propan-2-yl-1-piperazinyl)ethanone(R,E)-3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indole5-[2-(Phenylsulfonyl]vinyl]-3-[1-methylpyrrolidin-2(R)-ylmethyl]-1h-indolehydrogenbromide5-(2-(BENZENESULFONYL)VINYL)-3-(1-METHYLPYRROLIDIN-2(R)-YLMETHYL)-1H-INDOLE HYDROGENBROMIDE(R,E)-3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indole hydrobromide3-[[(2R)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-Indole, hydrobromide (1:1)
이름 더 보기
1H-Indole, 3-[(1-methyl-2-pyrrolidinyl)methyl]-5-[2-(phenylsulfonyl)ethenyl]-, monohydrobromide, [R-(E)]- (9CI)
데이터베이스 식별자
- CAS
188113-69-1
물성
구조 계산 물성
- 극성 표면적
- 61.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 621
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