2-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methyl-phenyl]acetic acid CAS Name: 2-[3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylphenyl]acetic acid Traditional Name: 2-[3-[4-(2-fluorophenyl)piperazino]sulfonyl-5-methyl-phenyl]acetic acid Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)CC(=O)O

InChI

InChI=1S/C19H21FN2O4S/c1-14-10-15(13-19(23)24)12-16(11-14)27(25,26)22-8-6-21(7-9-22)18-5-3-2-4-17(18)20/h2-5,10-12H,6-9,13H2,1H3,(H,23,24)