1-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl methanesulfonate

Systemtic Name: 1-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl methanesulfonate Openeye Name: 1-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 1-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl ester IUPAC Name: 1-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 1-[5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propyl ester Formula: C19H18FNO4S MolecularWeight: 375.413923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)OS(=O)(=O)C

Isomeric SMILES

CCC(C1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)OS(=O)(=O)C

InChI

InChI=1S/C19H18FNO4S/c1-3-18(25-26(2,22)23)19(15-5-7-16(20)8-6-15)17-9-4-13(11-21)10-14(17)12-24-19/h4-10,18H,3,12H2,1-2H3