5-[(4-tert-butylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H31N3O6S/c1-5-33-23(30)27-14-12-26(13-15-27)21-11-8-18(16-20(21)22(28)29)25-34(31,32)19-9-6-17(7-10-19)24(2,3)4/h6-11,16,25H,5,12-15H2,1-4H3,(H,28,29)