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

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 3-methyl-4-[[2-(N-p-phenetylsulfonylanilino)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)S(=O)(=O)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)C)C3=CC=CC=C3

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=CC=C3

InChI

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