methyl 3-methyl-2-[(3-methylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[(3-methylsulfonylphenyl)carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[(3-methylsulfonylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(3-methylsulfonylbenzoyl)amino]butanoate Traditional Name: 2-[(3-mesylbenzoyl)amino]-3-methyl-butyric acid methyl ester Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C14H19NO5S/c1-9(2)12(14(17)20-3)15-13(16)10-6-5-7-11(8-10)21(4,18)19/h5-9,12H,1-4H3,(H,15,16)