2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-5-32-23(29)26-10-8-25(9-11-26)20-7-6-18(14-19(20)22(27)28)24-33(30,31)21-13-16(3)15(2)12-17(21)4/h6-7,12-14,24H,5,8-11H2,1-4H3,(H,27,28)