1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[4-(methylthio)phenyl]sulfonyl-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)phenyl]sulfonyl-N-(2-pyridylmethyl)isonipecotamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C19H23N3O3S2/c1-26-17-5-7-18(8-6-17)27(24,25)22-12-9-15(10-13-22)19(23)21-14-16-4-2-3-11-20-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,21,23)