1,5-bis-(4-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-1,5-benzodiazepine

Systemtic Name: 1,5-bis-(4-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-1,5-benzodiazepine Openeye Name: 7-nitro-1,5-bis(p-tolylsulfonyl)-3,4-dihydro-2H-1,5-benzodiazepine CAS Name: 1,5-bis-(4-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-1,5-benzodiazepine IUPAC Name: 1,5-bis-(4-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-1,5-benzodiazepine Traditional Name: 7-nitro-1,5-ditosyl-3,4-dihydro-2H-1,5-benzodiazepine Formula: C23H23N3O6S2 MolecularWeight: 501.57522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C3=C2C=CC(=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C3=C2C=CC(=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H23N3O6S2/c1-17-4-9-20(10-5-17)33(29,30)24-14-3-15-25(23-16-19(26(27)28)8-13-22(23)24)34(31,32)21-11-6-18(2)7-12-21/h4-13,16H,3,14-15H2,1-2H3