N-[4-(azepan-1-ylcarbonyl)phenyl]-N-ethyl-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-N-ethyl-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-N-ethyl-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-N-ethyl-4-(methylthio)benzenesulfonamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-N-ethyl-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-N-ethyl-4-(methylthio)benzenesulfonamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H28N2O3S2/c1-3-24(29(26,27)21-14-12-20(28-2)13-15-21)19-10-8-18(9-11-19)22(25)23-16-6-4-5-7-17-23/h8-15H,3-7,16-17H2,1-2H3