2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: N-benzyl-2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetamide Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H21FN2O3S2/c1-29-20-10-12-21(13-11-20)30(27,28)25(19-9-5-8-18(23)14-19)16-22(26)24-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,24,26)