2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(ethylsulfonylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(ethylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(ethylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-(ethylsulfonylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(ethylsulfonylamino)quinoline-4-carboxylic acid Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]-6-(esylamino)cinchoninic acid Formula: C24H28N4O4S MolecularWeight: 468.56852

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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)C4=CC=CC(=C4C)C

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C24H28N4O4S/c1-4-33(31,32)26-18-8-9-21-19(14-18)20(24(29)30)15-23(25-21)28-12-10-27(11-13-28)22-7-5-6-16(2)17(22)3/h5-9,14-15,26H,4,10-13H2,1-3H3,(H,29,30)