7-bromanyl-4-(1H-imidazol-5-ylmethyl)-1-methylsulfonyl-2-(phenylmethyl)-2,3-dihydroquinoxaline

Systemtic Name: 7-bromanyl-4-(1H-imidazol-5-ylmethyl)-1-methylsulfonyl-2-(phenylmethyl)-2,3-dihydroquinoxaline Openeye Name: 2-benzyl-7-bromo-4-(1H-imidazol-5-ylmethyl)-1-methylsulfonyl-2,3-dihydroquinoxaline CAS Name: 7-bromo-4-(1H-imidazol-5-ylmethyl)-1-methylsulfonyl-2-(phenylmethyl)-2,3-dihydroquinoxaline IUPAC Name: 2-benzyl-7-bromo-4-(1H-imidazol-5-ylmethyl)-1-methylsulfonyl-2,3-dihydroquinoxaline Traditional Name: 2-benzyl-7-bromo-4-(1H-imidazol-5-ylmethyl)-1-mesyl-2,3-dihydroquinoxaline Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(CN(C2=C1C=C(C=C2)Br)CC3=CN=CN3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1C(CN(C2=C1C=C(C=C2)Br)CC3=CN=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21BrN4O2S/c1-28(26,27)25-18(9-15-5-3-2-4-6-15)13-24(12-17-11-22-14-23-17)19-8-7-16(21)10-20(19)25/h2-8,10-11,14,18H,9,12-13H2,1H3,(H,22,23)