2-methylpropyl N-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamate

Systemtic Name: 2-methylpropyl N-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamate Openeye Name: isobutyl N-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamate CAS Name: N-[7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamate Traditional Name: N-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid isobutyl ester Formula: C26H32BrN5O4S MolecularWeight: 590.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=C(C=C2CN(C(CN(C2=C1)CC3=CN=CN3)CC4=CC=CC=C4)S(=O)(=O)C)Br

Isomeric SMILES

CC(C)COC(=O)NC1=C(C=C2CN(C(CN(C2=C1)CC3=CN=CN3)CC4=CC=CC=C4)S(=O)(=O)C)Br

InChI

InChI=1S/C26H32BrN5O4S/c1-18(2)16-36-26(33)30-24-11-25-20(10-23(24)27)13-32(37(3,34)35)22(9-19-7-5-4-6-8-19)15-31(25)14-21-12-28-17-29-21/h4-8,10-12,17-18,22H,9,13-16H2,1-3H3,(H,28,29)(H,30,33)