[(2R)-2-oxidanyl-4-(phenylmethoxycarbonylamino)butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-oxidanyl-4-(phenylmethoxycarbonylamino)butyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-4-(benzyloxycarbonylamino)-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-4-(phenylmethoxycarbonylamino)butyl] ester IUPAC Name: [(2R)-2-hydroxy-4-(phenylmethoxycarbonylamino)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-4-(benzyloxycarbonylamino)-2-hydroxy-butyl] ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-15-7-9-18(10-8-15)27(23,24)26-14-17(21)11-12-20-19(22)25-13-16-5-3-2-4-6-16/h2-10,17,21H,11-14H2,1H3,(H,20,22)/t17-/m1/s1