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

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-4-methoxy-benzoic acid Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC)F

InChI

InChI=1S/C20H21FN2O6S/c1-13(24)14-3-5-17(16(21)11-14)22-7-9-23(10-8-22)30(27,28)19-12-15(20(25)26)4-6-18(19)29-2/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)