2-[(2-methylphenyl)carbamoylamino]-3-methylsulfonyl-propanoic acid

Systemtic Name: 2-[(2-methylphenyl)carbamoylamino]-3-methylsulfonyl-propanoic acid Openeye Name: 3-methylsulfonyl-2-(o-tolylcarbamoylamino)propanoic acid CAS Name: 2-[[(2-methylanilino)-oxomethyl]amino]-3-methylsulfonylpropanoic acid IUPAC Name: 2-[(2-methylphenyl)carbamoylamino]-3-methylsulfonylpropanoic acid Traditional Name: 3-mesyl-2-(o-tolylcarbamoylamino)propionic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC(CS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC(CS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-8-5-3-4-6-9(8)13-12(17)14-10(11(15)16)7-20(2,18)19/h3-6,10H,7H2,1-2H3,(H,15,16)(H2,13,14,17)