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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

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