N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(methylthio)phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H21N3O3S2/c1-25-16-6-4-15(5-7-16)20-18(22)14-8-11-21(12-9-14)26(23,24)17-3-2-10-19-13-17/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,20,22)