1-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-imidazol-1-yl-ethanone

Systemtic Name: 1-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-imidazol-1-yl-ethanone Openeye Name: 1-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-imidazol-1-yl-ethanone CAS Name: 1-[7-bromo-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-(1-imidazolyl)ethanone IUPAC Name: 1-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-imidazol-1-ylethanone Traditional Name: 1-(3-benzyl-7-bromo-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-imidazol-1-yl-ethanone Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)C(=O)CN4C=CN=C4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)C(=O)CN4C=CN=C4

InChI

InChI=1S/C22H23BrN4O3S/c1-31(29,30)27-13-18-12-19(23)7-8-21(18)26(22(28)15-25-10-9-24-16-25)14-20(27)11-17-5-3-2-4-6-17/h2-10,12,16,20H,11,13-15H2,1H3