2-methyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propanoic acid

Systemtic Name: 2-methyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-propanoic acid CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylpropanoic acid IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylpropanoic acid Traditional Name: 3-(4-besylpiperazino)-2-methyl-propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-12(14(17)18)11-15-7-9-16(10-8-15)21(19,20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)