2,9-bis(ethylsulfonyl)-6-oxidanidyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide

Systemtic Name: 2,9-bis(ethylsulfonyl)-6-oxidanidyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide Openeye Name: 2,9-bis(ethylsulfonyl)-6-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide CAS Name: 2,9-bis(ethylsulfonyl)-6-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide IUPAC Name: 2,9-bis(ethylsulfonyl)-6-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide Traditional Name: 2,9-diesyl-6-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium 5-oxide Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)N([N+](=O)C3=C(CC2)C=C(C=C3)S(=O)(=O)CC)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)N([N+](=O)C3=C(CC2)C=C(C=C3)S(=O)(=O)CC)[O-]

InChI

InChI=1S/C18H20N2O6S2/c1-3-27(23,24)15-7-9-17-13(11-15)5-6-14-12-16(28(25,26)4-2)8-10-18(14)20(22)19(17)21/h7-12H,3-6H2,1-2H3