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

Systemtic Name: 6-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine; methanesulfonic acid Openeye Name: 6-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-amine; methanesulfonic acid CAS Name: 6-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-2-benzimidazolamine; methanesulfonic acid IUPAC Name: 6-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine; methanesulfonic acid Traditional Name: [6-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine; mesylic acid Formula: C21H26FN5O8S3 MolecularWeight: 591.653243

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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)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)C4=CC=C(C=C4)F)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C19H18FN5O2S.2CH4O3S/c1-11(2)28(26,27)25-16-9-13(5-8-15(16)24-19(25)21)18-17(22-10-23-18)12-3-6-14(20)7-4-12;2*1-5(2,3)4/h3-11H,1-2H3,(H2,21,24)(H,22,23);2*1H3,(H,2,3,4)