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

Systemtic Name: methyl 3-[2-[(4-ethoxyphenyl)sulfonyl-(4-fluorophenyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoro-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(4-fluoro-N-p-phenetylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H25FN2O6S MolecularWeight: 500.539203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H25FN2O6S/c1-4-34-21-11-13-22(14-12-21)35(31,32)28(20-9-7-19(26)8-10-20)16-24(29)27-23-15-18(25(30)33-3)6-5-17(23)2/h5-15H,4,16H2,1-3H3,(H,27,29)