3-(azepan-1-ylcarbonyl)-4-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[2-(p-tolylsulfanyl)ethyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[2-[(4-methylphenyl)thio]ethyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[2-(p-tolylthio)ethyl]benzenesulfonamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O4S2/c1-18-7-9-19(10-8-18)30-16-13-24-31(27,28)20-11-12-22(29-2)21(17-20)23(26)25-14-5-3-4-6-15-25/h7-12,17,24H,3-6,13-16H2,1-2H3