methyl 4-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C23H21FN2O5S2 MolecularWeight: 488.551643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H21FN2O5S2/c1-31-23(28)16-6-8-18(9-7-16)25-22(27)15-26(19-5-3-4-17(24)14-19)33(29,30)21-12-10-20(32-2)11-13-21/h3-14H,15H2,1-2H3,(H,25,27)