2-[5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonyl-2-thienyl]acetic acid CAS Name: 2-[5-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]acetic acid Traditional Name: 2-[5-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-2-thienyl]acetic acid Formula: C18H19FN2O5S2 MolecularWeight: 426.482263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)CC(=O)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)CC(=O)O)F

InChI

InChI=1S/C18H19FN2O5S2/c1-12(22)13-2-4-16(15(19)10-13)20-6-8-21(9-7-20)28(25,26)18-5-3-14(27-18)11-17(23)24/h2-5,10H,6-9,11H2,1H3,(H,23,24)