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

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [(1S)-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=C1S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C15H21NO5S/c1-10(13(17)16-15(2,3)4)21-14(18)11-8-6-7-9-12(11)22(5,19)20/h6-10H,1-5H3,(H,16,17)/t10-/m0/s1