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

Systemtic Name: (3Z)-1,6-bis-(4-methylphenyl)sulfonyl-4-prop-1-en-2-yl-2,5-dihydro-1,6-benzodiazocine Openeye Name: (3Z)-4-isopropenyl-1,6-bis(p-tolylsulfonyl)-2,5-dihydro-1,6-benzodiazocine CAS Name: (3Z)-4-(1-methylethenyl)-1,6-bis-(4-methylphenyl)sulfonyl-2,5-dihydro-1,6-benzodiazocine IUPAC Name: (3Z)-1,6-bis-(4-methylphenyl)sulfonyl-4-prop-1-en-2-yl-2,5-dihydro-1,6-benzodiazocine Traditional Name: (3Z)-4-isopropenyl-1,6-ditosyl-2,5-dihydro-1,6-benzodiazocine Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N2O4S2/c1-20(2)23-17-18-28(34(30,31)24-13-9-21(3)10-14-24)26-7-5-6-8-27(26)29(19-23)35(32,33)25-15-11-22(4)12-16-25/h5-17H,1,18-19H2,2-4H3/b23-17+