2-[3-(1-pyridin-3-ylsulfonylpiperidin-3-yl)phenyl]ethanoic acid

Systemtic Name: 2-[3-(1-pyridin-3-ylsulfonylpiperidin-3-yl)phenyl]ethanoic acid Openeye Name: 2-[3-[1-(3-pyridylsulfonyl)-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-(3-pyridinylsulfonyl)-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-(1-pyridin-3-ylsulfonylpiperidin-3-yl)phenyl]acetic acid Traditional Name: 2-[3-[1-(3-pyridylsulfonyl)-3-piperidyl]phenyl]acetic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CN=CC=C2)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C18H20N2O4S/c21-18(22)11-14-4-1-5-15(10-14)16-6-3-9-20(13-16)25(23,24)17-7-2-8-19-12-17/h1-2,4-5,7-8,10,12,16H,3,6,9,11,13H2,(H,21,22)