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

Systemtic Name: ethyl 4-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H23FN2O5S2 MolecularWeight: 502.578223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C24H23FN2O5S2/c1-3-32-24(29)17-7-9-19(10-8-17)26-23(28)16-27(20-6-4-5-18(25)15-20)34(30,31)22-13-11-21(33-2)12-14-22/h4-15H,3,16H2,1-2H3,(H,26,28)