2-methylsulfanyl-N-[(4-phenyl-1-propylsulfonyl-piperidin-4-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[(4-phenyl-1-propylsulfonyl-piperidin-4-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[(4-phenyl-1-propylsulfonyl-4-piperidyl)methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[(4-phenyl-1-propylsulfonyl-4-piperidinyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[(4-phenyl-1-propylsulfonyl-4-piperidyl)methyl]nicotinamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=C(N=CC=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=C(N=CC=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S2/c1-3-16-30(27,28)25-14-11-22(12-15-25,18-8-5-4-6-9-18)17-24-20(26)19-10-7-13-23-21(19)29-2/h4-10,13H,3,11-12,14-17H2,1-2H3,(H,24,26)