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

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-[2-(methylthio)phenyl]isonipecotamide Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC)Cl

InChI

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