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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC)OC

InChI

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