(3Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,5-dihydro-1,6-benzodiazocine

Systemtic Name: (3Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,5-dihydro-1,6-benzodiazocine Openeye Name: (3Z)-1,6-bis(p-tolylsulfonyl)-2,5-dihydro-1,6-benzodiazocine CAS Name: (3Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,5-dihydro-1,6-benzodiazocine IUPAC Name: (3Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,5-dihydro-1,6-benzodiazocine Traditional Name: (3Z)-1,6-ditosyl-2,5-dihydro-1,6-benzodiazocine Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CCN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C=C\CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H24N2O4S2/c1-19-9-13-21(14-10-19)31(27,28)25-17-5-6-18-26(24-8-4-3-7-23(24)25)32(29,30)22-15-11-20(2)12-16-22/h3-16H,17-18H2,1-2H3/b6-5-