6-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[4-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 2-keto-6-[4-(3-methylolpiperidino)sulfonylphenyl]-1H-pyridine-3-carboxylic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)C(=O)O)CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)C(=O)O)CO

InChI

InChI=1S/C18H20N2O6S/c21-11-12-2-1-9-20(10-12)27(25,26)14-5-3-13(4-6-14)16-8-7-15(18(23)24)17(22)19-16/h3-8,12,21H,1-2,9-11H2,(H,19,22)(H,23,24)