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

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(2-fluorophenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-(2-fluorophenoxy)ethyl ester IUPAC Name: 2-(2-fluorophenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-(2-fluorophenoxy)ethyl ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3F

InChI

InChI=1S/C21H24FNO5S/c22-19-10-3-4-11-20(19)27-14-15-28-21(24)17-8-7-9-18(16-17)29(25,26)23-12-5-1-2-6-13-23/h3-4,7-11,16H,1-2,5-6,12-15H2