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

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(2-fluorophenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-(2-fluorophenoxy)ethyl ester IUPAC Name: 2-(2-fluorophenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid 2-(2-fluorophenoxy)ethyl ester Formula: C21H24FNO5S MolecularWeight: 421.482363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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