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

Systemtic Name: 2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-phenyl]acetic acid CAS Name: 2-[3-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-4-methylphenyl]acetic acid IUPAC Name: 2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetic acid Traditional Name: 2-[3-[4-(4-fluorobenzyl)piperazino]sulfonyl-4-methyl-phenyl]acetic acid Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S/c1-15-2-3-17(13-20(24)25)12-19(15)28(26,27)23-10-8-22(9-11-23)14-16-4-6-18(21)7-5-16/h2-7,12H,8-11,13-14H2,1H3,(H,24,25)