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

Systemtic Name: N-[[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]benzamide Openeye Name: N-[[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]benzamide CAS Name: N-[[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]benzamide IUPAC Name: N-[[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]benzamide Traditional Name: N-[[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-3-yl]methyl]benzamide Formula: C22H24BrN5O3S MolecularWeight: 518.42666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CNC(=O)C3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CNC(=O)C3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C22H24BrN5O3S/c1-32(30,31)28-12-17-9-18(23)7-8-21(17)27(13-19-10-24-15-26-19)14-20(28)11-25-22(29)16-5-3-2-4-6-16/h2-10,15,20H,11-14H2,1H3,(H,24,26)(H,25,29)