2-(2-fluoranylphenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 2-(2-fluorophenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 2-(2-fluorophenoxy)ethyl ester IUPAC Name: 2-(2-fluorophenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid 2-(2-fluorophenoxy)ethyl ester Formula: C22H26FNO6S MolecularWeight: 451.508343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCCOC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCCOC3=CC=CC=C3F

InChI

InChI=1S/C22H26FNO6S/c1-28-20-11-10-17(31(26,27)24-12-6-2-3-7-13-24)16-18(20)22(25)30-15-14-29-21-9-5-4-8-19(21)23/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3