Domitroban
CAS Registry Number®
112966-96-8
No image available.
CAS Name
DomitrobanMolecular Formula
C20H27NO4SMolecular Mass
377.50Cite this Page
Domitroban. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=112966-96-8 (retrieved ) (CAS RN: 112966-96-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
InChIKey
InChIKey=PWTCIBWRMQFJBC-ZEMKZVSASA-N
SMILES
N(S(=O)(=O)C1=CC=CC=C1)[C@@H]2[C@@H](C/C=C\CCCC(O)=O)[C@]3(C[C@@]2(CC3)[H])[H]
Canonical SMILES
O=C(O)CCCC=CCC1C2CCC(C2)C1NS(=O)(=O)C=3C=CC=CC3
Other Names for this Substance
- 5-Heptenoic acid, 7-[(1R,2S,3S,4S)-3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-, (5Z)-
- 5-Heptenoic acid, 7-[3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-, [1R-[1α,2α(Z),3β,4α]]-
- (5Z)-7-[(1R,2S,3S,4S)-3-[(Phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid
- (+)-S 145
- Domitroban
