6-(ethylsulfonylamino)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-(ethylsulfonylamino)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-(ethylsulfonylamino)-2-[4-(2-pyridyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(ethylsulfonylamino)-2-[4-(2-pyridinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(ethylsulfonylamino)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-(esylamino)-2-[4-(2-pyridyl)piperazino]cinchoninic acid Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O4S/c1-2-31(29,30)24-15-6-7-18-16(13-15)17(21(27)28)14-20(23-18)26-11-9-25(10-12-26)19-5-3-4-8-22-19/h3-8,13-14,24H,2,9-12H2,1H3,(H,27,28)