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

Systemtic Name: (5aR,9aR)-3-methylidene-1,5-bis(phenylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine Openeye Name: (5aR,9aR)-1,5-bis(benzenesulfonyl)-3-methylene-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine CAS Name: (5aR,9aR)-1,5-bis(benzenesulfonyl)-3-methylene-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine IUPAC Name: (5aR,9aR)-1,5-bis(benzenesulfonyl)-3-methylidene-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine Traditional Name: (5aR,9aR)-1,5-dibesyl-3-methylene-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepine Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CN(C2CCCCC2N(C1)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C=C1CN([C@@H]2CCCC[C@H]2N(C1)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O4S2/c1-18-16-23(29(25,26)19-10-4-2-5-11-19)21-14-8-9-15-22(21)24(17-18)30(27,28)20-12-6-3-7-13-20/h2-7,10-13,21-22H,1,8-9,14-17H2/t21-,22-/m1/s1