N-(2-ethylsulfanylphenyl)-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2-ethylsulfanylphenyl)-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(2-ethylsulfanylphenyl)-4-(4-fluoro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(ethylthio)phenyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-ethylsulfanylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(ethylthio)phenyl]-4-(4-fluoro-N-mesyl-anilino)butyramide Formula: C19H23FN2O3S2 MolecularWeight: 410.525923

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C19H23FN2O3S2/c1-3-26-18-8-5-4-7-17(18)21-19(23)9-6-14-22(27(2,24)25)16-12-10-15(20)11-13-16/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,23)