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

Systemtic Name: 2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(1,3-dimethylbutyl)piperazin-1-yl]-6-(o-tolylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-6-[(2-methylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-6-(o-tolylsulfonylamino)cinchoninic acid Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C(C)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C(C)CC(C)C

InChI

InChI=1S/C27H34N4O4S/c1-18(2)15-20(4)30-11-13-31(14-12-30)26-17-23(27(32)33)22-16-21(9-10-24(22)28-26)29-36(34,35)25-8-6-5-7-19(25)3/h5-10,16-18,20,29H,11-15H2,1-4H3,(H,32,33)