N-(2-methoxy-5-nitro-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H23N3O6S2/c1-29-19-8-3-15(23(25)26)13-18(19)21-20(24)14-9-11-22(12-10-14)31(27,28)17-6-4-16(30-2)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)