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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC)Cl

InChI

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