4-[[(4-ethylsulfonylphenyl)amino]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[(4-ethylsulfonylphenyl)amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(4-ethylsulfonylanilino)methyl]-3-fluoro-benzonitrile CAS Name: 4-[(4-ethylsulfonylanilino)methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(4-ethylsulfonylanilino)methyl]-3-fluorobenzonitrile Traditional Name: 4-[(4-esylanilino)methyl]-3-fluoro-benzonitrile Formula: C16H15FN2O2S MolecularWeight: 318.365903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C16H15FN2O2S/c1-2-22(20,21)15-7-5-14(6-8-15)19-11-13-4-3-12(10-18)9-16(13)17/h3-9,19H,2,11H2,1H3