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

Systemtic Name: 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-pyridyl)piperazin-1-yl]-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(2-pyridinyl)-1-piperazinyl]-6-[(2,4,6-trimethylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 6-(mesitylsulfonylamino)-2-[4-(2-pyridyl)piperazino]cinchoninic acid Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=N5)C

InChI

InChI=1S/C28H29N5O4S/c1-18-14-19(2)27(20(3)15-18)38(36,37)31-21-7-8-24-22(16-21)23(28(34)35)17-26(30-24)33-12-10-32(11-13-33)25-6-4-5-9-29-25/h4-9,14-17,31H,10-13H2,1-3H3,(H,34,35)