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

Systemtic Name: ethyl 3-[2-[(4-ethoxyphenyl)-(4-fluorophenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H25FN2O6S MolecularWeight: 500.539203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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