(2-azanyl-2-oxidanylidene-ethyl) 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C11H13NO5S MolecularWeight: 271.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-7-3-4-8(18(2,15)16)5-9(7)11(14)17-6-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13)