2-(4-fluoranylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 2-(4-fluorophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 2-(4-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 2-(4-fluorophenoxy)ethyl ester Formula: C22H26FNO6S MolecularWeight: 451.508343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26FNO6S/c1-28-20-11-6-17(16-21(20)31(26,27)24-12-4-2-3-5-13-24)22(25)30-15-14-29-19-9-7-18(23)8-10-19/h6-11,16H,2-5,12-15H2,1H3