6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 2-(4-methylpiperazino)-6-(p-phenetylsulfonylamino)cinchoninic acid Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C

InChI

InChI=1S/C23H26N4O5S/c1-3-32-17-5-7-18(8-6-17)33(30,31)25-16-4-9-21-19(14-16)20(23(28)29)15-22(24-21)27-12-10-26(2)11-13-27/h4-9,14-15,25H,3,10-13H2,1-2H3,(H,28,29)