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

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-(4-phenylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-(4-phenyl-1-piperazinyl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-phenylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 6-(mesitylsulfonylamino)-2-(4-phenylpiperazino)cinchoninic acid Formula: C29H30N4O4S MolecularWeight: 530.6379

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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=C5)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=C5)C

InChI

InChI=1S/C29H30N4O4S/c1-19-15-20(2)28(21(3)16-19)38(36,37)31-22-9-10-26-24(17-22)25(29(34)35)18-27(30-26)33-13-11-32(12-14-33)23-7-5-4-6-8-23/h4-10,15-18,31H,11-14H2,1-3H3,(H,34,35)