[(2S,3S,4S)-3-azido-4-methyl-2-methylsulfonyloxy-hexyl] benzoate

Systemtic Name: [(2S,3S,4S)-3-azido-4-methyl-2-methylsulfonyloxy-hexyl] benzoate Openeye Name: [(2S,3S,4S)-3-azido-4-methyl-2-methylsulfonyloxy-hexyl] benzoate CAS Name: benzoic acid [(2S,3S,4S)-3-azido-4-methyl-2-methylsulfonyloxyhexyl] ester IUPAC Name: [(2S,3S,4S)-3-azido-4-methyl-2-methylsulfonyloxyhexyl] benzoate Traditional Name: benzoic acid [(2S,3S,4S)-3-azido-4-methyl-2-methylsulfonyloxy-hexyl] ester Formula: C15H21N3O5S MolecularWeight: 355.40934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(COC(=O)C1=CC=CC=C1)OS(=O)(=O)C)N=[N+]=[N-]

Isomeric SMILES

CC[C@H](C)[C@@H]([C@@H](COC(=O)C1=CC=CC=C1)OS(=O)(=O)C)N=[N+]=[N-]

InChI

InChI=1S/C15H21N3O5S/c1-4-11(2)14(17-18-16)13(23-24(3,20)21)10-22-15(19)12-8-6-5-7-9-12/h5-9,11,13-14H,4,10H2,1-3H3/t11-,13+,14-/m0/s1