2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid Formula: C25H24FN3O5S MolecularWeight: 497.538563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)C(=O)O

InChI

InChI=1S/C25H24FN3O5S/c1-17(30)18-5-8-21(9-6-18)28-11-13-29(14-12-28)24-10-7-20(16-23(24)25(31)32)27-35(33,34)22-4-2-3-19(26)15-22/h2-10,15-16,27H,11-14H2,1H3,(H,31,32)