4-oxidanylidene-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-quinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-quinoline-3-carboxylic acid Openeye Name: 4-oxo-6-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-1H-quinoline-3-carboxylic acid CAS Name: 4-oxo-6-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-1H-quinoline-3-carboxylic acid IUPAC Name: 4-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-6-[4-(2-pyridyl)piperazino]sulfonyl-1H-quinoline-3-carboxylic acid Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

InChI

InChI=1S/C19H18N4O5S/c24-18-14-11-13(4-5-16(14)21-12-15(18)19(25)26)29(27,28)23-9-7-22(8-10-23)17-3-1-2-6-20-17/h1-6,11-12H,7-10H2,(H,21,24)(H,25,26)