[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-10(2)16-14(17)11(3)21-15(18)13-7-5-12(6-8-13)9-22(4,19)20/h5-8,10-11H,9H2,1-4H3,(H,16,17)/t11-/m0/s1