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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(4-ethoxyphenyl)sulfonyl-(4-fluorophenyl)amino]ethanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoro-anilino)acetamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-(4-fluoro-N-p-phenetylsulfonyl-anilino)acetamide Formula: C22H29FN2O4S2 MolecularWeight: 468.605063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H29FN2O4S2/c1-5-29-19-10-12-20(13-11-19)31(27,28)25(18-8-6-17(23)7-9-18)16-21(26)24-14-15-30-22(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,24,26)