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

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-N-methyl-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-N-methyl-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-N-methyl-4-(methylthio)benzenesulfonamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-N-methyl-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-N-methyl-4-(methylthio)benzenesulfonamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-22(28(25,26)20-13-11-19(27-2)12-14-20)18-9-7-17(8-10-18)21(24)23-15-5-3-4-6-16-23/h7-14H,3-6,15-16H2,1-2H3