(5aR,9aR)-3-methylidene-1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine

Systemtic Name: (5aR,9aR)-3-methylidene-1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine Openeye Name: (5aR,9aR)-3-methylene-1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine CAS Name: (5aR,9aR)-3-methylene-1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine IUPAC Name: (5aR,9aR)-3-methylidene-1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine Traditional Name: (5aR,9aR)-3-methylene-1,5-ditriflyl-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine Formula: C12H16F6N2O4S2 MolecularWeight: 430.386859

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CN(C2CCCCC2N(C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C=C1CN([C@@H]2CCCC[C@H]2N(C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H16F6N2O4S2/c1-8-6-19(25(21,22)11(13,14)15)9-4-2-3-5-10(9)20(7-8)26(23,24)12(16,17)18/h9-10H,1-7H2/t9-,10-/m1/s1