(2,4,6-trimethylphenyl) 2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (2,4,6-trimethylphenyl) 2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (2,4,6-trimethylphenyl) 2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(2-cyanophenyl)sulfonyl-methylamino]acetic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetic acid mesityl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC(=O)CN(C)S(=O)(=O)C2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC(=O)CN(C)S(=O)(=O)C2=CC=CC=C2C#N)C

InChI

InChI=1S/C19H20N2O4S/c1-13-9-14(2)19(15(3)10-13)25-18(22)12-21(4)26(23,24)17-8-6-5-7-16(17)11-20/h5-10H,12H2,1-4H3