1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-[[4-(4-pyridylsulfanyl)-1-piperidyl]sulfonyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(pyridin-4-ylthio)-1-piperidinyl]sulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(4-pyridylthio)piperidino]sulfonylpipecolinic acid Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)S(=O)(=O)N2CCC(CC2)SC3=CC=NC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)N2CCC(CC2)SC3=CC=NC=C3

InChI

InChI=1S/C16H23N3O4S2/c20-16(21)15-3-1-2-10-19(15)25(22,23)18-11-6-14(7-12-18)24-13-4-8-17-9-5-13/h4-5,8-9,14-15H,1-3,6-7,10-12H2,(H,20,21)