[(2S,3S)-4-azido-2-methyl-3-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-4-azido-2-methyl-3-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-4-azido-2-methyl-3-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-4-azido-2-methyl-3-(4-methylphenyl)sulfonyloxybutyl] ester IUPAC Name: [(2S,3S)-4-azido-2-methyl-3-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-4-azido-2-methyl-3-tosyloxy-butyl] ester Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S2/c1-14-4-8-17(9-5-14)29(23,24)27-13-16(3)19(12-21-22-20)28-30(25,26)18-10-6-15(2)7-11-18/h4-11,16,19H,12-13H2,1-3H3/t16-,19+/m0/s1