(E)-N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]-2-phenylethenesulfonamide Traditional Name: (E)-N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-2-phenyl-ethenesulfonamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3S/c22-19-11-9-18(10-12-19)16-24(20-8-4-5-14-23-21(20)25)28(26,27)15-13-17-6-2-1-3-7-17/h1-3,6-7,9-13,15,20H,4-5,8,14,16H2,(H,23,25)/b15-13+/t20-/m1/s1