N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-(3,4-dimethylphenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-(3,4-dimethylphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H27ClN2O3S/c1-17-7-10-20(15-18(17)2)25(16-22(26)24-13-5-3-4-6-14-24)29(27,28)21-11-8-19(23)9-12-21/h7-12,15H,3-6,13-14,16H2,1-2H3