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

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-6-(phenylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 6-(benzenesulfonamido)-2-[4-(2-chlorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(benzenesulfonamido)-2-[4-(2-chlorophenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(benzenesulfonamido)-2-[4-(2-chlorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-(benzenesulfonamido)-2-[4-(2-chlorophenyl)piperazino]cinchoninic acid Formula: C26H23ClN4O4S MolecularWeight: 523.00322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)C(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)C(=C3)C(=O)O

InChI

InChI=1S/C26H23ClN4O4S/c27-22-8-4-5-9-24(22)30-12-14-31(15-13-30)25-17-21(26(32)33)20-16-18(10-11-23(20)28-25)29-36(34,35)19-6-2-1-3-7-19/h1-11,16-17,29H,12-15H2,(H,32,33)