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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-6-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(5-fluoro-2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]cinchoninic acid Formula: C24H24FN5O4S MolecularWeight: 497.541863

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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)CCC#N

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)CCC#N

InChI

InChI=1S/C24H24FN5O4S/c1-16-3-4-17(25)13-22(16)35(33,34)28-18-5-6-21-19(14-18)20(24(31)32)15-23(27-21)30-11-9-29(10-12-30)8-2-7-26/h3-6,13-15,28H,2,8-12H2,1H3,(H,31,32)