[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C15H21NO5S/c1-10(13(17)16-15(2,3)4)21-14(18)11-7-6-8-12(9-11)22(5,19)20/h6-10H,1-5H3,(H,16,17)