2-methylsulfanyl-N-[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]pyridine-3-carboxamide Openeye Name: N-[4-[(4-benzyl-1-piperidyl)sulfonyl]phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)sulfonylphenyl]-2-(methylthio)nicotinamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c1-32-25-23(8-5-15-26-25)24(29)27-21-9-11-22(12-10-21)33(30,31)28-16-13-20(14-17-28)18-19-6-3-2-4-7-19/h2-12,15,20H,13-14,16-18H2,1H3,(H,27,29)