2-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-4-methyl-pentanoic acid CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonylmethyl]-4-methylpentanoic acid IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-4-methylpentanoic acid Traditional Name: 2-[[4-(4-fluorophenyl)piperazino]sulfonylmethyl]-4-methyl-valeric acid Formula: C17H25FN2O4S MolecularWeight: 372.454803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C)CC(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C17H25FN2O4S/c1-13(2)11-14(17(21)22)12-25(23,24)20-9-7-19(8-10-20)16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,21,22)