N-methyl-1-(4-methylsulfanylphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-methyl-1-(4-methylsulfanylphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-methyl-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-1-[4-(methylthio)phenyl]sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-methyl-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O3S2/c1-22(16-17-6-4-3-5-7-17)21(24)18-12-14-23(15-13-18)28(25,26)20-10-8-19(27-2)9-11-20/h3-11,18H,12-16H2,1-2H3