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

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]benzenesulfonamide Openeye Name: N-[(3-benzyloxyphenyl)methyl]-4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-[(3-phenylmethoxyphenyl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]benzenesulfonamide Traditional Name: N-(3-benzoxybenzyl)-4-chloro-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC(=CC=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC(=CC=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O4S/c27-22-12-14-24(15-13-22)34(31,32)29(25-11-4-5-16-28-26(25)30)18-21-9-6-10-23(17-21)33-19-20-7-2-1-3-8-20/h1-3,6-10,12-15,17,25H,4-5,11,16,18-19H2,(H,28,30)