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

Systemtic Name: [(2S)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-(benzyloxycarbonylamino)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-(benzyloxycarbonylamino)-2-hydroxy-propyl] ester Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CNC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C18H21NO6S/c1-14-7-9-17(10-8-14)26(22,23)25-13-16(20)11-19-18(21)24-12-15-5-3-2-4-6-15/h2-10,16,20H,11-13H2,1H3,(H,19,21)/t16-/m0/s1