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

Systemtic Name: 6-[2-(2-chloranyl-6-fluoranyl-phenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonic acid Openeye Name: 6-[2-(2-chloro-6-fluoro-phenyl)-5-phenyl-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-amine; methanesulfonic acid CAS Name: 6-[2-(2-chloro-6-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-2-benzimidazolamine; methanesulfonic acid IUPAC Name: 6-[2-(2-chloro-6-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine; methanesulfonic acid Traditional Name: [6-[2-(2-chloro-6-fluoro-phenyl)-5-phenyl-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine; mesylic acid Formula: C27H29ClFN5O8S3 MolecularWeight: 702.194263

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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=CC=C4Cl)F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=C(C=CC=C4Cl)F)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C25H21ClFN5O2S.2CH4O3S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27;2*1-5(2,3)4/h3-14H,1-2H3,(H2,28,29)(H,30,31);2*1H3,(H,2,3,4)