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

Systemtic Name: (2S)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: (2S)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid CAS Name: (2S)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: (2S)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: (2S)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-2-methyl-propionic acid Formula: C14H19FN2O4S MolecularWeight: 330.375063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C14H19FN2O4S/c1-11(14(18)19)10-22(20,21)17-8-6-16(7-9-17)13-4-2-12(15)3-5-13/h2-5,11H,6-10H2,1H3,(H,18,19)/t11-/m1/s1