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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(o-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-6-[(2-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-6-(o-tolylsulfonylamino)cinchoninic acid Formula: C24H25N5O4S MolecularWeight: 479.5514

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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)CCC#N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)CCC#N

InChI

InChI=1S/C24H25N5O4S/c1-17-5-2-3-6-22(17)34(32,33)27-18-7-8-21-19(15-18)20(24(30)31)16-23(26-21)29-13-11-28(12-14-29)10-4-9-25/h2-3,5-8,15-16,27H,4,10-14H2,1H3,(H,30,31)