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

Systemtic Name: 6-[(4-methoxyphenyl)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-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-methoxyphenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-6-[(4-methoxyphenyl)sulfonylamino]cinchoninic acid Formula: C27H34N4O5S MolecularWeight: 526.64766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC)C(=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C)N1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC)C(=C2)C(=O)O

InChI

InChI=1S/C27H34N4O5S/c1-18(2)15-19(3)30-11-13-31(14-12-30)26-17-24(27(32)33)23-16-20(5-10-25(23)28-26)29-37(34,35)22-8-6-21(36-4)7-9-22/h5-10,16-19,29H,11-15H2,1-4H3,(H,32,33)