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

Systemtic Name: 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Openeye Name: 2-(4-fluoro-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]butanamide CAS Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)thio]ethyl]butanamide IUPAC Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-[2-(p-tolylthio)ethyl]butyramide Formula: C20H25FN2O3S2 MolecularWeight: 424.552503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1=CC=C(C=C1)C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC1=CC=C(C=C1)C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C20H25FN2O3S2/c1-4-19(23(28(3,25)26)17-9-7-16(21)8-10-17)20(24)22-13-14-27-18-11-5-15(2)6-12-18/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)