cyanomethyl 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: cyanomethyl 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoate Openeye Name: cyanomethyl 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetate CAS Name: 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[mesitylsulfonyl(phenethyl)amino]acetic acid cyanomethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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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#N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-16-13-17(2)21(18(3)14-16)28(25,26)23(15-20(24)27-12-10-22)11-9-19-7-5-4-6-8-19/h4-8,13-14H,9,11-12,15H2,1-3H3