(2-azanyl-2-oxidanylidene-ethyl) 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetate CAS Name: 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[mesitylsulfonyl(phenethyl)amino]acetic acid (2-amino-2-keto-ethyl) ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)OCC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)OCC(=O)N)C

InChI

InChI=1S/C21H26N2O5S/c1-15-11-16(2)21(17(3)12-15)29(26,27)23(13-20(25)28-14-19(22)24)10-9-18-7-5-4-6-8-18/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,22,24)