1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: 1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: 1-[(1-methyl-4-imidazolyl)sulfonyl]-N-[3-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: 1-(1-methylimidazol-4-yl)sulfonyl-N-[3-(methylthio)phenyl]nipecotamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C17H22N4O3S2/c1-20-11-16(18-12-20)26(23,24)21-8-4-5-13(10-21)17(22)19-14-6-3-7-15(9-14)25-2/h3,6-7,9,11-13H,4-5,8,10H2,1-2H3,(H,19,22)