[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C24H28FNO6S MolecularWeight: 477.545623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)F

InChI

InChI=1S/C24H28FNO6S/c1-31-23-12-9-19(16-21(23)25)22(27)17-32-24(28)13-8-18-6-10-20(11-7-18)33(29,30)26-14-4-2-3-5-15-26/h6-7,9-12,16H,2-5,8,13-15,17H2,1H3