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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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