N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]-2,2-diphenyl-ethanesulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]-2,2-diphenyl-ethanesulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]-2,2-diphenyl-ethanesulfonamide CAS Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]-2,2-diphenylethanesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]-2,2-diphenylethanesulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-2,2-diphenyl-ethanesulfonamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29BrN2O3S/c28-24-16-14-21(15-17-24)19-30(26-13-7-8-18-29-27(26)31)34(32,33)20-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-12,14-17,25-26H,7-8,13,18-20H2,(H,29,31)/t26-/m1/s1