[(3aR,4S,5R)-4-acetyloxy-3,3-bis[(phenylmethyl)sulfonyl]-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,2,3]triazol-5-yl] ethanoate

Systemtic Name: [(3aR,4S,5R)-4-acetyloxy-3,3-bis[(phenylmethyl)sulfonyl]-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,2,3]triazol-5-yl] ethanoate Openeye Name: [(3aR,4S,5R)-4-acetoxy-3,3-bis(benzylsulfonyl)-3a,4,5,6-tetrahydropyrrolo[1,2-c]triazol-5-yl] acetate CAS Name: acetic acid [(3aR,4S,5R)-4-acetyloxy-3,3-bis[(phenylmethyl)sulfonyl]-3a,4,5,6-tetrahydropyrrolo[1,2-c]triazol-5-yl] ester IUPAC Name: [(3aR,4S,5R)-4-acetyloxy-3,3-bis(benzylsulfonyl)-3a,4,5,6-tetrahydropyrrolo[1,2-c]triazol-5-yl] acetate Traditional Name: acetic acid [(3aR,4S,5R)-4-acetoxy-3,3-bis(benzylsulfonyl)-3a,4,5,6-tetrahydropyrrolo[1,2-c]triazol-5-yl] ester Formula: C23H25N3O8S2 MolecularWeight: 535.5899

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN2C(C1OC(=O)C)C(N=N2)(S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)O[C@@H]1CN2[C@H]([C@@H]1OC(=O)C)C(N=N2)(S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O8S2/c1-16(27)33-20-13-26-22(21(20)34-17(2)28)23(24-25-26,35(29,30)14-18-9-5-3-6-10-18)36(31,32)15-19-11-7-4-8-12-19/h3-12,20-22H,13-15H2,1-2H3/t20-,21-,22-/m1/s1