7-bromanyl-3-[(2-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-3-[(2-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-3-[(2-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-3-[(2-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-3-[(2-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-3-(2-chlorobenzyl)-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H22BrClN4O2S MolecularWeight: 509.84698

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3Cl)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3Cl)CC4=CN=CN4

InChI

InChI=1S/C21H22BrClN4O2S/c1-30(28,29)27-11-16-8-17(22)6-7-21(16)26(12-18-10-24-14-25-18)13-19(27)9-15-4-2-3-5-20(15)23/h2-8,10,14,19H,9,11-13H2,1H3,(H,24,25)