5,12-bis-(4-methylphenyl)sulfonyl-6,11-dihydrobenzo[c][1,6]benzodiazocine

Systemtic Name: 5,12-bis-(4-methylphenyl)sulfonyl-6,11-dihydrobenzo[c][1,6]benzodiazocine Openeye Name: 5,12-bis(p-tolylsulfonyl)-6,11-dihydrobenzo[c][1,6]benzodiazocine CAS Name: 5,12-bis-(4-methylphenyl)sulfonyl-6,11-dihydrobenzo[c][1,6]benzodiazocine IUPAC Name: 5,12-bis-(4-methylphenyl)sulfonyl-6,11-dihydrobenzo[c][1,6]benzodiazocine Traditional Name: 5,12-ditosyl-6,11-dihydrobenzo[c][1,6]benzodiazocine Formula: C28H26N2O4S2 MolecularWeight: 518.64704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CN(C4=CC=CC=C42)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CN(C4=CC=CC=C42)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H26N2O4S2/c1-21-11-15-25(16-12-21)35(31,32)29-19-23-7-3-4-8-24(23)20-30(28-10-6-5-9-27(28)29)36(33,34)26-17-13-22(2)14-18-26/h3-18H,19-20H2,1-2H3