N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-chlorobenzyl)benzenesulfonamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2O3S/c22-19-12-10-18(11-13-19)16-24(28(26,27)20-8-4-3-5-9-20)17-21(25)23-14-6-1-2-7-15-23/h3-5,8-13H,1-2,6-7,14-17H2