6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-pyridyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-pyridinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-pyridyl)piperazino]cinchoninic acid Formula: C25H22ClN5O4S MolecularWeight: 523.99128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Cl)C(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Cl)C(=C3)C(=O)O

InChI

InChI=1S/C25H22ClN5O4S/c26-20-5-1-2-6-22(20)36(34,35)29-17-8-9-21-18(15-17)19(25(32)33)16-24(28-21)31-13-11-30(12-14-31)23-7-3-4-10-27-23/h1-10,15-16,29H,11-14H2,(H,32,33)