(2R)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: (2R)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: (2R)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: (2R)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylpropanoate IUPAC Name: (2R)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylpropanoate Traditional Name: (2R)-2-[2-keto-2-(m-toluidino)ethyl]sulfonylpropionate Formula: C12H14NO5S- MolecularWeight: 284.30826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CS(=O)(=O)C(C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CS(=O)(=O)[C@H](C)C(=O)[O-]

InChI

InChI=1S/C12H15NO5S/c1-8-4-3-5-10(6-8)13-11(14)7-19(17,18)9(2)12(15)16/h3-6,9H,7H2,1-2H3,(H,13,14)(H,15,16)/p-1/t9-/m1/s1