N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-(2-methylphenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-(2-methylphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-chloro-N-(o-tolyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-chloro-N-(2-methylphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-chloro-N-(2-methylphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-chloro-N-(o-tolyl)benzenesulfonamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-17-8-4-5-9-20(17)24(16-21(25)23-14-6-2-3-7-15-23)28(26,27)19-12-10-18(22)11-13-19/h4-5,8-13H,2-3,6-7,14-16H2,1H3