1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-[2-(methylthio)phenyl]isonipecotamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC)OC

InChI

InChI=1S/C21H26N2O4S2/c1-15-14-17(8-9-19(15)27-2)29(25,26)23-12-10-16(11-13-23)21(24)22-18-6-4-5-7-20(18)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,22,24)