methanesulfonic acid; 1-[3-(4-propan-2-ylphenyl)-1-benzofuran-5-yl]propan-2-amine

Systemtic Name: methanesulfonic acid; 1-[3-(4-propan-2-ylphenyl)-1-benzofuran-5-yl]propan-2-amine Openeye Name: 1-[3-(4-isopropylphenyl)benzofuran-5-yl]propan-2-amine; methanesulfonic acid CAS Name: methanesulfonic acid; 1-[3-(4-propan-2-ylphenyl)-5-benzofuranyl]-2-propanamine IUPAC Name: methanesulfonic acid; 1-[3-(4-propan-2-ylphenyl)-1-benzofuran-5-yl]propan-2-amine Traditional Name: mesylic acid; [1-methyl-2-(3-p-cumenylbenzofuran-5-yl)ethyl]amine Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=COC3=C2C=C(C=C3)CC(C)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=COC3=C2C=C(C=C3)CC(C)N.CS(=O)(=O)O

InChI

InChI=1S/C20H23NO.CH4O3S/c1-13(2)16-5-7-17(8-6-16)19-12-22-20-9-4-15(10-14(3)21)11-18(19)20;1-5(2,3)4/h4-9,11-14H,10,21H2,1-3H3;1H3,(H,2,3,4)