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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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