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

Systemtic Name: [7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid Openeye Name: [3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid CAS Name: [7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid IUPAC Name: [3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid Traditional Name: [3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid Formula: C22H24BrN5O4S MolecularWeight: 534.42606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC(=C(C=C2N(CC1CC3=CC=CC=C3)CC4=CN=CN4)NC(=O)O)Br

Isomeric SMILES

CS(=O)(=O)N1CC2=CC(=C(C=C2N(CC1CC3=CC=CC=C3)CC4=CN=CN4)NC(=O)O)Br

InChI

InChI=1S/C22H24BrN5O4S/c1-33(31,32)28-11-16-8-19(23)20(26-22(29)30)9-21(16)27(12-17-10-24-14-25-17)13-18(28)7-15-5-3-2-4-6-15/h2-6,8-10,14,18,26H,7,11-13H2,1H3,(H,24,25)(H,29,30)