[(2S)-3-(tert-butylamino)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-(tert-butylamino)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-(tert-butylamino)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-(tert-butylamino)-2-hydroxypropyl] ester IUPAC Name: [(2S)-3-(tert-butylamino)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-(tert-butylamino)-2-hydroxy-propyl] ester Formula: C14H23NO4S MolecularWeight: 301.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CNC(C)(C)C)O

InChI

InChI=1S/C14H23NO4S/c1-11-5-7-13(8-6-11)20(17,18)19-10-12(16)9-15-14(2,3)4/h5-8,12,15-16H,9-10H2,1-4H3/t12-/m0/s1