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

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(p-tolylsulfonylamino)benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-[(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-(tosylamino)benzoic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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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)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(=O)O

InChI

InChI=1S/C21H25N3O6S/c1-3-30-21(27)24-12-10-23(11-13-24)19-9-6-16(14-18(19)20(25)26)22-31(28,29)17-7-4-15(2)5-8-17/h4-9,14,22H,3,10-13H2,1-2H3,(H,25,26)