3-(azepan-1-ylcarbonyl)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[2-[(4-chlorophenyl)methylthio]phenyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-[2-[(4-chlorobenzyl)thio]phenyl]-4-methoxy-benzenesulfonamide Formula: C27H29ClN2O4S2 MolecularWeight: 545.11316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)Cl)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)Cl)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H29ClN2O4S2/c1-34-25-15-14-22(18-23(25)27(31)30-16-6-2-3-7-17-30)36(32,33)29-24-8-4-5-9-26(24)35-19-20-10-12-21(28)13-11-20/h4-5,8-15,18,29H,2-3,6-7,16-17,19H2,1H3