2-(4-methylpiperazin-1-yl)-6-(phenylsulfonylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylpiperazin-1-yl)-6-(phenylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 6-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-(benzenesulfonamido)-2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-(benzenesulfonamido)-2-(4-methylpiperazino)cinchoninic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=C2)C(=O)O

InChI

InChI=1S/C21H22N4O4S/c1-24-9-11-25(12-10-24)20-14-18(21(26)27)17-13-15(7-8-19(17)22-20)23-30(28,29)16-5-3-2-4-6-16/h2-8,13-14,23H,9-12H2,1H3,(H,26,27)