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

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-fluorophenyl)sulfonylamino]benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-fluorophenyl)sulfonylamino]benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-[(4-fluorophenyl)sulfonylamino]benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-fluorophenyl)sulfonylamino]benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(4-fluorophenyl)sulfonylamino]benzoic acid Formula: C20H22FN3O6S MolecularWeight: 451.468583

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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)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O6S/c1-2-30-20(27)24-11-9-23(10-12-24)18-8-5-15(13-17(18)19(25)26)22-31(28,29)16-6-3-14(21)4-7-16/h3-8,13,22H,2,9-12H2,1H3,(H,25,26)