3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide

Systemtic Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]pyridine-4-carboxamide CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-pyridinecarboxamide IUPAC Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)-N-(4-piperidinosulfonylbenzyl)isonicotinamide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C#N

InChI

InChI=1S/C23H26N4O3S2/c1-31-23-20(14-24)19(13-21(26-23)17-7-8-17)22(28)25-15-16-5-9-18(10-6-16)32(29,30)27-11-3-2-4-12-27/h5-6,9-10,13,17H,2-4,7-8,11-12,15H2,1H3,(H,25,28)