(3-fluoranyl-4-methoxy-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO5S/c1-27-20-10-9-16(13-19(20)22)15-28-21(24)17-7-6-8-18(14-17)29(25,26)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12,15H2,1H3