(3S)-N-(2-methylsulfanylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-methylsulfanylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-methylsulfanylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-1-methylsulfonyl-N-[2-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-mesyl-N-[2-(methylthio)phenyl]nipecotamide Formula: C14H20N2O3S2 MolecularWeight: 328.4502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C14H20N2O3S2/c1-20-13-8-4-3-7-12(13)15-14(17)11-6-5-9-16(10-11)21(2,18)19/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)/t11-/m0/s1