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

Systemtic Name: ethyl 4-[2-[(2-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[2-fluoro-N-(p-tolylsulfonyl)anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(2-fluoro-N-tosyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C25H25FN2O5S MolecularWeight: 484.539803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C25H25FN2O5S/c1-4-33-25(30)19-11-14-22(18(3)15-19)27-24(29)16-28(23-8-6-5-7-21(23)26)34(31,32)20-12-9-17(2)10-13-20/h5-15H,4,16H2,1-3H3,(H,27,29)