N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-chloranyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-chloranyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-benzyl-3-chloro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3-chloro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzyl-3-chlorobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-benzyl-3-chloro-benzenesulfonamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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