4-chloranyl-N-[(3R)-5,5-dimethyl-2-oxidanylidene-azepan-3-yl]-N-[(2-fluoranyl-4-methoxy-phenyl)methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3R)-5,5-dimethyl-2-oxidanylidene-azepan-3-yl]-N-[(2-fluoranyl-4-methoxy-phenyl)methyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(3R)-5,5-dimethyl-2-oxo-azepan-3-yl]-N-[(2-fluoro-4-methoxy-phenyl)methyl]benzenesulfonamide CAS Name: 4-chloro-N-[(3R)-5,5-dimethyl-2-oxo-3-azepanyl]-N-[(2-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(3R)-5,5-dimethyl-2-oxoazepan-3-yl]-N-[(2-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide Traditional Name: 4-chloro-N-(2-fluoro-4-methoxy-benzyl)-N-[(3R)-2-keto-5,5-dimethyl-azepan-3-yl]benzenesulfonamide Formula: C22H26ClFN2O4S MolecularWeight: 468.969243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCNC(=O)C(C1)N(CC2=C(C=C(C=C2)OC)F)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CCNC(=O)[C@@H](C1)N(CC2=C(C=C(C=C2)OC)F)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H26ClFN2O4S/c1-22(2)10-11-25-21(27)20(13-22)26(14-15-4-7-17(30-3)12-19(15)24)31(28,29)18-8-5-16(23)6-9-18/h4-9,12,20H,10-11,13-14H2,1-3H3,(H,25,27)/t20-/m1/s1