[(3aR,5R,6S,6aR)-5-[(1R)-1-azido-2-(4-methylphenyl)sulfonyloxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ethanoate

Systemtic Name: [(3aR,5R,6S,6aR)-5-[(1R)-1-azido-2-(4-methylphenyl)sulfonyloxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ethanoate Openeye Name: [(3aR,5R,6S,6aR)-5-[(1R)-1-azido-2-(p-tolylsulfonyloxy)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate CAS Name: acetic acid [(3aR,5R,6S,6aR)-5-[(1R)-1-azido-2-(4-methylphenyl)sulfonyloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aR,5R,6S,6aR)-5-[(1R)-1-azido-2-(4-methylphenyl)sulfonyloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate Traditional Name: acetic acid [(3aR,5R,6S,6aR)-5-[(1R)-1-azido-2-tosyloxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C18H23N3O8S MolecularWeight: 441.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2C(C3C(O2)OC(O3)(C)C)OC(=O)C)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C)N=[N+]=[N-]

InChI

InChI=1S/C18H23N3O8S/c1-10-5-7-12(8-6-10)30(23,24)25-9-13(20-21-19)14-15(26-11(2)22)16-17(27-14)29-18(3,4)28-16/h5-8,13-17H,9H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1