6-[2-azanyl-3-cyclopropyl-5-(2-fluorophenyl)imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonate

Systemtic Name: 6-[2-azanyl-3-cyclopropyl-5-(2-fluorophenyl)imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonate Openeye Name: 6-[2-amino-3-cyclopropyl-5-(2-fluorophenyl)imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-amine; methanesulfonate CAS Name: 6-[2-amino-3-cyclopropyl-5-(2-fluorophenyl)-4-imidazolyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine; methanesulfonate IUPAC Name: 6-[2-amino-3-cyclopropyl-5-(2-fluorophenyl)imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine; methanesulfonate Traditional Name: [6-[2-amino-3-cyclopropyl-5-(2-fluorophenyl)imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine mesylate Formula: C23H26FN6O5S2- MolecularWeight: 549.618143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(N=C(N3C4CC4)N)C5=CC=CC=C5F)N=C1N.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(N=C(N3C4CC4)N)C5=CC=CC=C5F)N=C1N.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H23FN6O2S.CH4O3S/c1-12(2)32(30,31)29-18-11-13(7-10-17(18)26-22(29)25)20-19(15-5-3-4-6-16(15)23)27-21(24)28(20)14-8-9-14;1-5(2,3)4/h3-7,10-12,14H,8-9H2,1-2H3,(H2,24,27)(H2,25,26);1H3,(H,2,3,4)/p-1