[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C22H24FNO6S MolecularWeight: 449.492463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO6S/c1-29-20-11-8-17(14-21(20)31(27,28)24-12-4-2-3-5-13-24)22(26)30-15-19(25)16-6-9-18(23)10-7-16/h6-11,14H,2-5,12-13,15H2,1H3