(2-fluorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-fluorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-fluorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-fluorobenzyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC=CC=C3F

InChI

InChI=1S/C21H24FNO5S/c1-27-20-11-10-17(29(25,26)23-12-6-2-3-7-13-23)14-18(20)21(24)28-15-16-8-4-5-9-19(16)22/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3