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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(o-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-6-[(2-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-6-(o-tolylsulfonylamino)cinchoninic acid Formula: C29H28N4O5S MolecularWeight: 544.62142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C29H28N4O5S/c1-19-5-3-4-6-27(19)39(37,38)31-22-9-12-26-24(17-22)25(29(35)36)18-28(30-26)33-15-13-32(14-16-33)23-10-7-21(8-11-23)20(2)34/h3-12,17-18,31H,13-16H2,1-2H3,(H,35,36)