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

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)Cl

InChI

InChI=1S/C20H23ClN2O4S2/c1-27-19-7-6-17(13-18(19)21)29(25,26)23-10-8-14(9-11-23)20(24)22-15-4-3-5-16(12-15)28-2/h3-7,12-14H,8-11H2,1-2H3,(H,22,24)