[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NC(C)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NC(C)C(C)C

InChI

InChI=1S/C22H27NO6S/c1-14(2)17(5)23-21(24)13-28-22(25)18-8-10-19(11-9-18)29-30(26,27)20-12-15(3)6-7-16(20)4/h6-12,14,17H,13H2,1-5H3,(H,23,24)