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

Systemtic Name: ethyl 3-[2-[(3,4-dimethoxyphenyl)sulfonyl-(4-ethoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxy-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxy-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C27H30N2O8S MolecularWeight: 542.6007

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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)OC)OC

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)OC)OC

InChI

InChI=1S/C27H30N2O8S/c1-5-36-22-12-10-21(11-13-22)29(38(32,33)23-14-15-24(34-3)25(17-23)35-4)18-26(30)28-20-9-7-8-19(16-20)27(31)37-6-2/h7-17H,5-6,18H2,1-4H3,(H,28,30)