N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-(4-fluoro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(4-fluoro-N-mesyl-anilino)butyramide Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)CC#N)C2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)CC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H20FN3O3S/c1-27(25,26)23(18-10-6-16(20)7-11-18)14-2-3-19(24)22-17-8-4-15(5-9-17)12-13-21/h4-11H,2-3,12,14H2,1H3,(H,22,24)