3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-(5-fluoro-2-methoxy-benzyl)piperazino]sulfonyl-4-methyl-benzoic acid Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C20H23FN2O5S/c1-14-3-4-15(20(24)25)12-19(14)29(26,27)23-9-7-22(8-10-23)13-16-11-17(21)5-6-18(16)28-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25)