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

Systemtic Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-pyrimidyl)piperazino]cinchoninic acid Formula: C24H21ClN6O4S MolecularWeight: 524.97934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)C(=C2)C(=O)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)C(=C2)C(=O)O)C5=NC=CC=N5

InChI

InChI=1S/C24H21ClN6O4S/c25-19-4-1-2-5-21(19)36(34,35)29-16-6-7-20-17(14-16)18(23(32)33)15-22(28-20)30-10-12-31(13-11-30)24-26-8-3-9-27-24/h1-9,14-15,29H,10-13H2,(H,32,33)