6-[2-tert-butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonic acid

Systemtic Name: 6-[2-tert-butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonic acid Openeye Name: 6-[2-tert-butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-amine; methanesulfonic acid CAS Name: 6-[2-tert-butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-2-benzimidazolamine; methanesulfonic acid IUPAC Name: 6-[2-tert-butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine; methanesulfonic acid Traditional Name: [6-[2-tert-butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine; mesylic acid Formula: C25H34FN5O8S3 MolecularWeight: 647.759563

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H26FN5O2S.2CH4O3S/c1-13(2)32(30,31)29-18-12-15(8-11-17(18)26-22(29)25)20-19(14-6-9-16(24)10-7-14)27-21(28-20)23(3,4)5;2*1-5(2,3)4/h6-13H,1-5H3,(H2,25,26)(H,27,28);2*1H3,(H,2,3,4)