[(1R,5S,6R)-5-azido-3-ethoxycarbonyl-6-methylsulfonyloxy-cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1R,5S,6R)-5-azido-3-ethoxycarbonyl-6-methylsulfonyloxy-cyclohex-3-en-1-yl] benzoate Openeye Name: [(1R,5S,6R)-5-azido-3-ethoxycarbonyl-6-methylsulfonyloxy-cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5S,6R)-5-azido-3-ethoxycarbonyl-6-methylsulfonyloxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5S,6R)-5-azido-3-ethoxycarbonyl-6-methylsulfonyloxycyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5S,6R)-5-azido-3-carbethoxy-6-methylsulfonyloxy-cyclohex-3-en-1-yl] ester Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(C1)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C)N=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7S/c1-3-25-16(21)12-9-13(19-20-18)15(27-28(2,23)24)14(10-12)26-17(22)11-7-5-4-6-8-11/h4-9,13-15H,3,10H2,1-2H3/t13-,14+,15+/m0/s1