N-[2-(azepan-1-ylcarbonyl)phenyl]-4-fluoranyl-3-methoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-fluoranyl-3-methoxy-benzenesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-fluoro-3-methoxy-benzenesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-fluoro-3-methoxybenzenesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-fluoro-3-methoxybenzenesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-fluoro-3-methoxy-benzenesulfonamide Formula: C20H23FN2O4S MolecularWeight: 406.471023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)F

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)F

InChI

InChI=1S/C20H23FN2O4S/c1-27-19-14-15(10-11-17(19)21)28(25,26)22-18-9-5-4-8-16(18)20(24)23-12-6-2-3-7-13-23/h4-5,8-11,14,22H,2-3,6-7,12-13H2,1H3