methyl 1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate

Systemtic Name: methyl 1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate Openeye Name: methyl 1-[[4-(4-pyridylsulfanyl)-1-piperidyl]sulfonyl]piperidine-2-carboxylate CAS Name: 1-[[4-(pyridin-4-ylthio)-1-piperidinyl]sulfonyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-[4-(4-pyridylthio)piperidino]sulfonylpipecolinic acid methyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1S(=O)(=O)N2CCC(CC2)SC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1CCCCN1S(=O)(=O)N2CCC(CC2)SC3=CC=NC=C3

InChI

InChI=1S/C17H25N3O4S2/c1-24-17(21)16-4-2-3-11-20(16)26(22,23)19-12-7-15(8-13-19)25-14-5-9-18-10-6-14/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3