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

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-ethoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 4-[[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ethoxy-N-tosyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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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)C

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)C

InChI

InChI=1S/C26H28N2O6S/c1-4-33-23-14-12-22(13-15-23)28(35(31,32)24-16-6-19(3)7-17-24)18-25(29)27-21-10-8-20(9-11-21)26(30)34-5-2/h6-17H,4-5,18H2,1-3H3,(H,27,29)