N-(2-cyano-3-fluoranyl-phenyl)azepane-1-sulfonamide

Systemtic Name: N-(2-cyano-3-fluoranyl-phenyl)azepane-1-sulfonamide Openeye Name: N-(2-cyano-3-fluoro-phenyl)azepane-1-sulfonamide CAS Name: N-(2-cyano-3-fluorophenyl)-1-azepanesulfonamide IUPAC Name: N-(2-cyano-3-fluorophenyl)azepane-1-sulfonamide Traditional Name: N-(2-cyano-3-fluoro-phenyl)azepane-1-sulfonamide Formula: C13H16FN3O2S MolecularWeight: 297.348443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=C(C(=CC=C2)F)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C13H16FN3O2S/c14-12-6-5-7-13(11(12)10-15)16-20(18,19)17-8-3-1-2-4-9-17/h5-7,16H,1-4,8-9H2