2-(4-ethoxycarbonylpiperazin-1-yl)-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-isobutylphenyl)sulfonylamino]benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(4-isobutylphenyl)sulfonylamino]benzoic acid Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)O

InChI

InChI=1S/C24H31N3O6S/c1-4-33-24(30)27-13-11-26(12-14-27)22-10-7-19(16-21(22)23(28)29)25-34(31,32)20-8-5-18(6-9-20)15-17(2)3/h5-10,16-17,25H,4,11-15H2,1-3H3,(H,28,29)