4-(4-ethoxycarbonylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-isobutylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-[(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)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S/c1-4-33-24(30)27-13-11-26(12-14-27)22-10-7-19(23(28)29)16-21(22)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)