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

Systemtic Name: [(2S)-2-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-(phenylmethoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-2-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(benzyloxycarbonylamino)propyl] ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-14-8-10-17(11-9-14)25(21,22)24-12-15(2)19-18(20)23-13-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m0/s1