N-(2-tert-butylsulfanylethyl)-2-[(2-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(2-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-[2-fluoro-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-(2-fluoro-N-tosyl-anilino)acetamide Formula: C21H27FN2O3S2 MolecularWeight: 438.579083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)C2=CC=CC=C2F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)C2=CC=CC=C2F

InChI

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