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

Systemtic Name: 4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide Openeye Name: 4-(4-fluoro-N-methylsulfonyl-anilino)-N-[2-(o-tolylmethylsulfanyl)ethyl]butanamide CAS Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylthio]ethyl]butanamide IUPAC Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide Traditional Name: 4-(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:

CC1=CC=CC=C1CSCCNC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C21H27FN2O3S2/c1-17-6-3-4-7-18(17)16-28-15-13-23-21(25)8-5-14-24(29(2,26)27)20-11-9-19(22)10-12-20/h3-4,6-7,9-12H,5,8,13-16H2,1-2H3,(H,23,25)