7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenoxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenoxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenoxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenoxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenoxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3-(phenoxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1COC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1COC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C21H23BrN4O3S/c1-30(27,28)26-11-16-9-17(22)7-8-21(16)25(12-18-10-23-15-24-18)13-19(26)14-29-20-5-3-2-4-6-20/h2-10,15,19H,11-14H2,1H3,(H,23,24)