3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-4-methyl-benzoic acid Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C20H21FN2O5S/c1-13-3-4-16(20(25)26)12-19(13)29(27,28)23-9-7-22(8-10-23)18-6-5-15(14(2)24)11-17(18)21/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)