methyl 2-[benzamidomethyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[benzamidomethyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[benzamidomethyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[benzamidomethyl-(4-methylphenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[benzamidomethyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[benzamidomethyl(tosyl)amino]acetic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O5S/c1-14-8-10-16(11-9-14)26(23,24)20(12-17(21)25-2)13-19-18(22)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,22)