2-[4-(4-ethanoylphenyl)piperazin-1-yl]-6-(phenylsulfonylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-6-(phenylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(benzenesulfonamido)quinoline-4-carboxylic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-6-(benzenesulfonamido)-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(benzenesulfonamido)quinoline-4-carboxylic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-6-(benzenesulfonamido)cinchoninic acid Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)C(=C3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)C(=C3)C(=O)O

InChI

InChI=1S/C28H26N4O5S/c1-19(33)20-7-10-22(11-8-20)31-13-15-32(16-14-31)27-18-25(28(34)35)24-17-21(9-12-26(24)29-27)30-38(36,37)23-5-3-2-4-6-23/h2-12,17-18,30H,13-16H2,1H3,(H,34,35)