[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-(benzyloxycarbonylamino)-2-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] ester IUPAC Name: [(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-(benzyloxycarbonylamino)-2-phenyl-ethyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S/c1-18-12-14-21(15-13-18)30(26,27)29-17-22(20-10-6-3-7-11-20)24-23(25)28-16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,24,25)/t22-/m0/s1