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

Systemtic Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-[4-(2-pyridyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-[4-(2-pyridinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-[4-(2-pyridyl)piperazino]cinchoninic acid Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H25N5O5S/c1-36-19-6-8-20(9-7-19)37(34,35)29-18-5-10-23-21(16-18)22(26(32)33)17-25(28-23)31-14-12-30(13-15-31)24-4-2-3-11-27-24/h2-11,16-17,29H,12-15H2,1H3,(H,32,33)