6-[2-(2-fluoranyl-4-nitro-phenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonic acid

Systemtic Name: 6-[2-(2-fluoranyl-4-nitro-phenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonic acid Openeye Name: 6-[2-(2-fluoro-4-nitro-phenyl)-5-phenyl-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-amine; methanesulfonic acid CAS Name: 6-[2-(2-fluoro-4-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-2-benzimidazolamine; methanesulfonic acid IUPAC Name: 6-[2-(2-fluoro-4-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine; methanesulfonic acid Traditional Name: [6-[2-(2-fluoro-4-nitro-phenyl)-5-phenyl-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine; mesylic acid Formula: C26H25FN6O7S2 MolecularWeight: 616.641103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=C(C=C(C=C4)[N+](=O)[O-])F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=C(C=C(C=C4)[N+](=O)[O-])F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O

InChI

InChI=1S/C25H21FN6O4S.CH4O3S/c1-14(2)37(35,36)31-21-12-16(8-11-20(21)28-25(31)27)23-22(15-6-4-3-5-7-15)29-24(30-23)18-10-9-17(32(33)34)13-19(18)26;1-5(2,3)4/h3-14H,1-2H3,(H2,27,28)(H,29,30);1H3,(H,2,3,4)