N-[(4-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)phenyl]sulfonyl-N-p-anisyl-isonipecotamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O4S2/c1-27-18-5-3-16(4-6-18)15-22-21(24)17-11-13-23(14-12-17)29(25,26)20-9-7-19(28-2)8-10-20/h3-10,17H,11-15H2,1-2H3,(H,22,24)