6-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-(4-phenyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-2-(4-phenylpiperazino)cinchoninic acid Formula: C27H25FN4O4S MolecularWeight: 520.575203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25FN4O4S/c1-18-7-8-19(28)15-25(18)37(35,36)30-20-9-10-24-22(16-20)23(27(33)34)17-26(29-24)32-13-11-31(12-14-32)21-5-3-2-4-6-21/h2-10,15-17,30H,11-14H2,1H3,(H,33,34)