3-(azepan-1-ylcarbonyl)-N-(2-tert-butylsulfanylethyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-tert-butylsulfanylethyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2-tert-butylsulfanylethyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[2-(tert-butylthio)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-tert-butylsulfanylethyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-[2-(tert-butylthio)ethyl]-4-methoxy-benzenesulfonamide Formula: C20H32N2O4S2 MolecularWeight: 428.60908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)SCCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

InChI

InChI=1S/C20H32N2O4S2/c1-20(2,3)27-14-11-21-28(24,25)16-9-10-18(26-4)17(15-16)19(23)22-12-7-5-6-8-13-22/h9-10,15,21H,5-8,11-14H2,1-4H3