4-[[[4-(benzimidazol-1-yl)-2-methyl-butan-2-yl]amino]-methoxy-methyl]-3-fluoranyl-phenol; methanesulfonate; hydrate

Systemtic Name: 4-[[[4-(benzimidazol-1-yl)-2-methyl-butan-2-yl]amino]-methoxy-methyl]-3-fluoranyl-phenol; methanesulfonate; hydrate Openeye Name: 4-[[[3-(benzimidazol-1-yl)-1,1-dimethyl-propyl]amino]-methoxy-methyl]-3-fluoro-phenol; methanesulfonate; hydrate CAS Name: 4-[[[4-(1-benzimidazolyl)-2-methylbutan-2-yl]amino]-methoxymethyl]-3-fluorophenol; methanesulfonate; hydrate IUPAC Name: 4-[[[4-(benzimidazol-1-yl)-2-methylbutan-2-yl]amino]-methoxymethyl]-3-fluorophenol; methanesulfonate; hydrate Traditional Name: 4-[[[3-(benzimidazol-1-yl)-1,1-dimethyl-propyl]amino]-methoxy-methyl]-3-fluoro-phenol mesylate hydrate Formula: C21H29FN3O6S- MolecularWeight: 470.534863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C=NC2=CC=CC=C21)NC(C3=C(C=C(C=C3)O)F)OC.CS(=O)(=O)[O-].O

Isomeric SMILES

CC(C)(CCN1C=NC2=CC=CC=C21)NC(C3=C(C=C(C=C3)O)F)OC.CS(=O)(=O)[O-].O

InChI

InChI=1S/C20H24FN3O2.CH4O3S.H2O/c1-20(2,10-11-24-13-22-17-6-4-5-7-18(17)24)23-19(26-3)15-9-8-14(25)12-16(15)21;1-5(2,3)4;/h4-9,12-13,19,23,25H,10-11H2,1-3H3;1H3,(H,2,3,4);1H2/p-1