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

Systemtic Name: (2S)-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: (2S)-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid CAS Name: (2S)-3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: (2S)-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: (2S)-3-[4-(3-chlorophenyl)piperazino]sulfonyl-2-methyl-propionic acid Formula: C14H19ClN2O4S MolecularWeight: 346.82966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O4S/c1-11(14(18)19)10-22(20,21)17-7-5-16(6-8-17)13-4-2-3-12(15)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,18,19)/t11-/m1/s1