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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN5O4S/c24-16-2-5-18(6-3-16)34(32,33)27-17-4-7-21-19(14-17)20(23(30)31)15-22(26-21)29-12-10-28(11-13-29)9-1-8-25/h2-7,14-15,27H,1,9-13H2,(H,30,31)