[(1R)-1-cyanoethyl] 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetate CAS Name: 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[mesitylsulfonyl(phenethyl)amino]acetic acid [(1R)-1-cyanoethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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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)OC(C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O[C@H](C)C#N)C

InChI

InChI=1S/C22H26N2O4S/c1-16-12-17(2)22(18(3)13-16)29(26,27)24(15-21(25)28-19(4)14-23)11-10-20-8-6-5-7-9-20/h5-9,12-13,19H,10-11,15H2,1-4H3/t19-/m1/s1