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

Systemtic Name: ethyl 4-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C25H25FN2O5S2 MolecularWeight: 516.604803

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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)C

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)C

InChI

InChI=1S/C25H25FN2O5S2/c1-4-33-25(30)18-8-13-23(17(2)14-18)27-24(29)16-28(20-7-5-6-19(26)15-20)35(31,32)22-11-9-21(34-3)10-12-22/h5-15H,4,16H2,1-3H3,(H,27,29)