(1-azanyl-1-oxidanylidene-propan-2-yl) 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C12H15NO5S MolecularWeight: 285.3162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)N

InChI

InChI=1S/C12H15NO5S/c1-7-4-5-9(19(3,16)17)6-10(7)12(15)18-8(2)11(13)14/h4-6,8H,1-3H3,(H2,13,14)