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

Systemtic Name: ethyl 4-[2-[(4-bromophenyl)sulfonyl-(4-ethoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(N-(4-bromophenyl)sulfonyl-4-ethoxy-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-brosyl-4-ethoxy-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H25BrN2O6S MolecularWeight: 561.4448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O6S/c1-3-33-22-13-11-21(12-14-22)28(35(31,32)23-15-7-19(26)8-16-23)17-24(29)27-20-9-5-18(6-10-20)25(30)34-4-2/h5-16H,3-4,17H2,1-2H3,(H,27,29)