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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

InChI

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