1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-27-17-7-8-19(28-2)20(14-17)30(25,26)23-11-9-15(10-12-23)21(24)22-16-5-4-6-18(13-16)29-3/h4-8,13-15H,9-12H2,1-3H3,(H,22,24)