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

Systemtic Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 2-[4-(1,3-dimethylbutyl)piperazin-1-yl]-6-[(4-ethylphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-6-[(4-ethylphenyl)sulfonylamino]cinchoninic acid Formula: C28H36N4O4S MolecularWeight: 524.67484

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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)C(C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O4S/c1-5-21-6-9-23(10-7-21)37(35,36)30-22-8-11-26-24(17-22)25(28(33)34)18-27(29-26)32-14-12-31(13-15-32)20(4)16-19(2)3/h6-11,17-20,30H,5,12-16H2,1-4H3,(H,33,34)