4-fluoranyl-3-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzonitrile CAS Name: 4-fluoro-3-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[1-(4-mesylphenyl)ethylamino]methyl]benzonitrile Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O2S/c1-12(14-4-6-16(7-5-14)23(2,21)22)20-11-15-9-13(10-19)3-8-17(15)18/h3-9,12,20H,11H2,1-2H3