2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(phenylsulfonylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(phenylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 6-(benzenesulfonamido)-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(benzenesulfonamido)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(benzenesulfonamido)-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-(benzenesulfonamido)-2-[4-(2-methoxyphenyl)piperazino]cinchoninic acid Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)C(=C3)C(=O)O

InChI

InChI=1S/C27H26N4O5S/c1-36-25-10-6-5-9-24(25)30-13-15-31(16-14-30)26-18-22(27(32)33)21-17-19(11-12-23(21)28-26)29-37(34,35)20-7-3-2-4-8-20/h2-12,17-18,29H,13-16H2,1H3,(H,32,33)