7,9-bis(bromanyl)-4-methylsulfonyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7,9-bis(bromanyl)-4-methylsulfonyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7,9-dibromo-4-methylsulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7,9-dibromo-4-methylsulfonyl-3-(phenylmethyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7,9-dibromo-4-methylsulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7,9-dibromo-4-mesyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C23H23Br2N3O2S MolecularWeight: 565.32062

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC(=CC(=C2N(CC1CC3=CC=CC=C3)CC4=CN=CC=C4)Br)Br

Isomeric SMILES

CS(=O)(=O)N1CC2=CC(=CC(=C2N(CC1CC3=CC=CC=C3)CC4=CN=CC=C4)Br)Br

InChI

InChI=1S/C23H23Br2N3O2S/c1-31(29,30)28-15-19-11-20(24)12-22(25)23(19)27(14-18-8-5-9-26-13-18)16-21(28)10-17-6-3-2-4-7-17/h2-9,11-13,21H,10,14-16H2,1H3