(3,3-dimethyl-2-oxidanylidene-butyl) 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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