2-[2-(2-methylphenyl)ethanoylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[2-(2-methylphenyl)ethanoylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-(o-tolyl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(2-methylphenyl)-1-oxoethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)acetyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[2-(o-tolyl)acetyl]amino]butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C14H19NO5S/c1-10-5-3-4-6-11(10)9-13(16)15-12(14(17)18)7-8-21(2,19)20/h3-6,12H,7-9H2,1-2H3,(H,15,16)(H,17,18)