methyl (3aR,7aR)-2,2-dimethyl-6-[(phenylmethyl)-[2-(trifluoromethylsulfonyloxy)phenyl]carbamoyl]-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (3aR,7aR)-2,2-dimethyl-6-[(phenylmethyl)-[2-(trifluoromethylsulfonyloxy)phenyl]carbamoyl]-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aR,7aR)-6-[benzyl-[2-(trifluoromethylsulfonyloxy)phenyl]carbamoyl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aR,7aR)-2,2-dimethyl-6-[oxo-[N-(phenylmethyl)-2-(trifluoromethylsulfonyloxy)anilino]methyl]-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-6-[benzyl-[2-(trifluoromethylsulfonyloxy)phenyl]carbamoyl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aR,7aR)-6-[benzyl-(2-triflyloxyphenyl)carbamoyl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C26H26F3NO8S MolecularWeight: 569.54675

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC(=C(CC2O1)C(=O)OC)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(O[C@@H]2CC(=C(C[C@H]2O1)C(=O)OC)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C26H26F3NO8S/c1-25(2)36-21-13-17(18(24(32)35-3)14-22(21)37-25)23(31)30(15-16-9-5-4-6-10-16)19-11-7-8-12-20(19)38-39(33,34)26(27,28)29/h4-12,21-22H,13-15H2,1-3H3/t21-,22-/m1/s1