[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NCC=C

InChI

InChI=1S/C20H21NO6S/c1-4-11-21-19(22)13-26-20(23)16-7-5-6-8-17(16)27-28(24,25)18-12-14(2)9-10-15(18)3/h4-10,12H,1,11,13H2,2-3H3,(H,21,22)