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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(ethylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(ethylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-6-(ethylsulfonylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(ethylsulfonylamino)quinoline-4-carboxylic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-6-(esylamino)cinchoninic acid Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)CCC#N

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)CCC#N

InChI

InChI=1S/C19H23N5O4S/c1-2-29(27,28)22-14-4-5-17-15(12-14)16(19(25)26)13-18(21-17)24-10-8-23(9-11-24)7-3-6-20/h4-5,12-13,22H,2-3,7-11H2,1H3,(H,25,26)