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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-6-[(4-ethylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-6-[(4-ethylphenyl)sulfonylamino]cinchoninic acid Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)CCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)CCC#N

InChI

InChI=1S/C25H27N5O4S/c1-2-18-4-7-20(8-5-18)35(33,34)28-19-6-9-23-21(16-19)22(25(31)32)17-24(27-23)30-14-12-29(13-15-30)11-3-10-26/h4-9,16-17,28H,2-3,11-15H2,1H3,(H,31,32)