methyl 2-[methyl-[3-(phenylsulfonyl)propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[methyl-[3-(phenylsulfonyl)propanoyl]amino]ethanoate Openeye Name: methyl 2-[3-(benzenesulfonyl)propanoyl-methyl-amino]acetate CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(benzenesulfonyl)propanoyl-methylamino]acetate Traditional Name: 2-[3-besylpropanoyl(methyl)amino]acetic acid methyl ester Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)CCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CN(CC(=O)OC)C(=O)CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H17NO5S/c1-14(10-13(16)19-2)12(15)8-9-20(17,18)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3