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

Systemtic Name: [(2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-3-(4-methoxyphenyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(benzyloxycarbonylamino)-3-(4-methoxyphenyl)propyl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CC2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-19-8-14-24(15-9-19)33(28,29)32-18-22(16-20-10-12-23(30-2)13-11-20)26-25(27)31-17-21-6-4-3-5-7-21/h3-15,22H,16-18H2,1-2H3,(H,26,27)/t22-/m0/s1