6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-6-[4-(2-methoxyphenyl)piperazino]sulfonyl-1H-quinoline-3-carboxylic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

InChI

InChI=1S/C21H21N3O6S/c1-30-19-5-3-2-4-18(19)23-8-10-24(11-9-23)31(28,29)14-6-7-17-15(12-14)20(25)16(13-22-17)21(26)27/h2-7,12-13H,8-11H2,1H3,(H,22,25)(H,26,27)