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

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(o-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-6-[(2-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-6-(o-tolylsulfonylamino)cinchoninic acid Formula: C28H28N4O5S MolecularWeight: 532.61072

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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=CC=C5OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C28H28N4O5S/c1-19-7-3-6-10-26(19)38(35,36)30-20-11-12-23-21(17-20)22(28(33)34)18-27(29-23)32-15-13-31(14-16-32)24-8-4-5-9-25(24)37-2/h3-12,17-18,30H,13-16H2,1-2H3,(H,33,34)