[(2S)-1-azanyl-3,3-dimethyl-4-oxidanyl-1-oxidanylidene-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-azanyl-3,3-dimethyl-4-oxidanyl-1-oxidanylidene-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-carbamoyl-3-hydroxy-2,2-dimethyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-amino-4-hydroxy-3,3-dimethyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-amino-4-hydroxy-3,3-dimethyl-1-oxobutan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-carbamoyl-3-hydroxy-2,2-dimethyl-propyl] ester Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(=O)N)C(C)(C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C(=O)N)C(C)(C)CO

InChI

InChI=1S/C13H19NO5S/c1-9-4-6-10(7-5-9)20(17,18)19-11(12(14)16)13(2,3)8-15/h4-7,11,15H,8H2,1-3H3,(H2,14,16)/t11-/m1/s1