[(2R,3R)-3-azido-2-oxidanyl-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-3-azido-2-oxidanyl-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-3-azido-4-benzyloxy-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-azido-2-hydroxy-4-phenylmethoxybutyl] ester IUPAC Name: [(2R,3R)-3-azido-2-hydroxy-4-phenylmethoxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-azido-4-benzoxy-2-hydroxy-butyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(COCC2=CC=CC=C2)N=[N+]=[N-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]([C@@H](COCC2=CC=CC=C2)N=[N+]=[N-])O

InChI

InChI=1S/C18H21N3O5S/c1-14-7-9-16(10-8-14)27(23,24)26-13-18(22)17(20-21-19)12-25-11-15-5-3-2-4-6-15/h2-10,17-18,22H,11-13H2,1H3/t17-,18+/m1/s1