2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-6-[(3-fluorophenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-6-[(3-fluorophenyl)sulfonylamino]cinchoninic acid Formula: C23H22FN5O4S MolecularWeight: 483.515283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)C(=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)C(=C2)C(=O)O

InChI

InChI=1S/C23H22FN5O4S/c24-16-3-1-4-18(13-16)34(32,33)27-17-5-6-21-19(14-17)20(23(30)31)15-22(26-21)29-11-9-28(10-12-29)8-2-7-25/h1,3-6,13-15,27H,2,8-12H2,(H,30,31)