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

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)sulfonyl-(4-fluorophenyl)amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoro-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-fluoro-N-p-phenetylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C26H27FN2O6S MolecularWeight: 514.565783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27FN2O6S/c1-4-34-22-11-13-23(14-12-22)36(32,33)29(21-9-7-20(27)8-10-21)17-25(30)28-24-15-6-19(16-18(24)3)26(31)35-5-2/h6-16H,4-5,17H2,1-3H3,(H,28,30)