N-tert-butyl-2-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfinylethanoyl-phenyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfinylethanoyl-phenyl-amino]ethanamide Openeye Name: N-tert-butyl-2-(N-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfinylacetyl]anilino)acetamide CAS Name: N-tert-butyl-2-(N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-1-oxoethyl]anilino)acetamide IUPAC Name: N-tert-butyl-2-(N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide Traditional Name: N-tert-butyl-2-(N-[2-[2-(4-fluoroanilino)-2-keto-ethyl]sulfinylacetyl]anilino)acetamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C1=CC=CC=C1)C(=O)CS(=O)CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=O)CN(C1=CC=CC=C1)C(=O)CS(=O)CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C22H26FN3O4S/c1-22(2,3)25-19(27)13-26(18-7-5-4-6-8-18)21(29)15-31(30)14-20(28)24-17-11-9-16(23)10-12-17/h4-12H,13-15H2,1-3H3,(H,24,28)(H,25,27)