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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(4-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(4-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-[(4-methoxyphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(4-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-6-[(4-methoxyphenyl)sulfonylamino]cinchoninic acid Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)OC)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)OC)C(=C3)C(=O)O

InChI

InChI=1S/C28H28N4O6S/c1-37-21-6-4-20(5-7-21)31-13-15-32(16-14-31)27-18-25(28(33)34)24-17-19(3-12-26(24)29-27)30-39(35,36)23-10-8-22(38-2)9-11-23/h3-12,17-18,30H,13-16H2,1-2H3,(H,33,34)