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

Systemtic Name: (2S)-2-methyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-propanoic acid Openeye Name: (2S)-3-(4-benzylpiperazin-1-yl)sulfonyl-2-methyl-propanoic acid CAS Name: (2S)-2-methyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]propanoic acid IUPAC Name: (2S)-3-(4-benzylpiperazin-1-yl)sulfonyl-2-methylpropanoic acid Traditional Name: (2S)-3-(4-benzylpiperazino)sulfonyl-2-methyl-propionic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H22N2O4S/c1-13(15(18)19)12-22(20,21)17-9-7-16(8-10-17)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,19)/t13-/m1/s1