4-chloranyl-N-[(4-cyanophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(4-cyanophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-(4-cyanobenzyl)-N-[(3R)-2-ketoazepan-3-yl]benzenesulfonamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c21-17-8-10-18(11-9-17)28(26,27)24(19-3-1-2-12-23-20(19)25)14-16-6-4-15(13-22)5-7-16/h4-11,19H,1-3,12,14H2,(H,23,25)/t19-/m1/s1