3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-(2-fluorophenyl)piperazino]sulfonyl-4-methyl-benzoic acid Formula: C18H19FN2O4S MolecularWeight: 378.417863

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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=CC=CC=C3F

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O4S/c1-13-6-7-14(18(22)23)12-17(13)26(24,25)21-10-8-20(9-11-21)16-5-3-2-4-15(16)19/h2-7,12H,8-11H2,1H3,(H,22,23)