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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-methylphenyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methylsulfanyl-N-(p-tolyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-methylphenyl)-4-(methylthio)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-(methylthio)-N-(p-tolyl)benzenesulfonamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S2/c1-18-7-9-19(10-8-18)24(17-22(25)23-15-5-3-4-6-16-23)29(26,27)21-13-11-20(28-2)12-14-21/h7-14H,3-6,15-17H2,1-2H3