[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-[methyl(methylsulfonyl)amino]benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-[methyl(methylsulfonyl)amino]benzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-[methyl(methylsulfonyl)amino]benzoate CAS Name: 2-[methyl(methylsulfonyl)amino]benzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate Traditional Name: 2-[mesyl(methyl)amino]benzoic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-21(2,3)16-12-10-15(11-13-16)19(23)14-27-20(24)17-8-6-7-9-18(17)22(4)28(5,25)26/h6-13H,14H2,1-5H3