6-[2-(1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonic acid

Systemtic Name: 6-[2-(1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonic acid Openeye Name: 6-[2-(1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-amine; methanesulfonic acid CAS Name: 6-[2-(1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-2-benzimidazolamine; methanesulfonic acid IUPAC Name: 6-[2-(1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine; methanesulfonic acid Traditional Name: [6-[2-(1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine; mesylic acid Formula: C27H27N5O7S2 MolecularWeight: 597.66258

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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=CC5=C(C=C4)OCO5)C6=CC=CC=C6)N=C1N.CS(=O)(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)N=C1N.CS(=O)(=O)O

InChI

InChI=1S/C26H23N5O4S.CH4O3S/c1-15(2)36(32,33)31-20-12-17(8-10-19(20)28-26(31)27)24-23(16-6-4-3-5-7-16)29-25(30-24)18-9-11-21-22(13-18)35-14-34-21;1-5(2,3)4/h3-13,15H,14H2,1-2H3,(H2,27,28)(H,29,30);1H3,(H,2,3,4)