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

Systemtic Name: 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide Openeye Name: 2-(4-fluoro-N-methylsulfonyl-anilino)-N-[2-(o-tolylmethylsulfanyl)ethyl]butanamide CAS Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylthio]ethyl]butanamide IUPAC Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-[2-[(2-methylbenzyl)thio]ethyl]butyramide Formula: C21H27FN2O3S2 MolecularWeight: 438.579083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC=CC=C1C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC=CC=C1C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C21H27FN2O3S2/c1-4-20(24(29(3,26)27)19-11-9-18(22)10-12-19)21(25)23-13-14-28-15-17-8-6-5-7-16(17)2/h5-12,20H,4,13-15H2,1-3H3,(H,23,25)