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

Systemtic Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-(4-phenyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-(4-phenylpiperazino)cinchoninic acid Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O5S/c1-36-21-8-10-22(11-9-21)37(34,35)29-19-7-12-25-23(17-19)24(27(32)33)18-26(28-25)31-15-13-30(14-16-31)20-5-3-2-4-6-20/h2-12,17-18,29H,13-16H2,1H3,(H,32,33)