[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NC(C)(C)C

InChI

InChI=1S/C16H23NO5S/c1-10-7-8-12(23(6,20)21)9-13(10)15(19)22-11(2)14(18)17-16(3,4)5/h7-9,11H,1-6H3,(H,17,18)