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

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(5-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(5-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid Formula: C21H24FN3O6S MolecularWeight: 465.495163

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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=CC(=C3)F)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O6S/c1-3-31-21(28)25-10-8-24(9-11-25)18-7-6-16(13-17(18)20(26)27)23-32(29,30)19-12-15(22)5-4-14(19)2/h4-7,12-13,23H,3,8-11H2,1-2H3,(H,26,27)