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

Systemtic Name: methanesulfonic acid; 6-[2-(4-methylsulfonylphenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 1-isopropylsulfonyl-6-[2-(4-methylsulfonylphenyl)-5-phenyl-1H-imidazol-4-yl]benzimidazol-2-amine; methanesulfonic acid CAS Name: methanesulfonic acid; 6-[2-(4-methylsulfonylphenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: methanesulfonic acid; 6-[2-(4-methylsulfonylphenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[2-(4-mesylphenyl)-5-phenyl-1H-imidazol-4-yl]benzimidazol-2-yl]amine; mesylic acid Formula: C28H33N5O10S4 MolecularWeight: 727.84912

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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=CC=C(C=C4)S(=O)(=O)C)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=CC=C(C=C4)S(=O)(=O)C)C5=CC=CC=C5)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C26H25N5O4S2.2CH4O3S/c1-16(2)37(34,35)31-22-15-19(11-14-21(22)28-26(31)27)24-23(17-7-5-4-6-8-17)29-25(30-24)18-9-12-20(13-10-18)36(3,32)33;2*1-5(2,3)4/h4-16H,1-3H3,(H2,27,28)(H,29,30);2*1H3,(H,2,3,4)