4-[[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]phenol

Systemtic Name: 4-[[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]phenol Openeye Name: 4-[[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]phenol CAS Name: 4-[[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]phenol IUPAC Name: 4-[[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]phenol Traditional Name: 4-[[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]phenol 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(CC1CC3=CC=C(C=C3)O)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=C(C=C3)O)CC4=CN=CN4

InChI

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