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

Systemtic Name: ethyl 2-chloranyl-4-[2-[(4-ethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]benzoate CAS Name: 2-chloro-4-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-4-[[2-(N-p-phenetylsulfonylanilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O6S/c1-3-33-20-11-13-21(14-12-20)35(31,32)28(19-8-6-5-7-9-19)17-24(29)27-18-10-15-22(23(26)16-18)25(30)34-4-2/h5-16H,3-4,17H2,1-2H3,(H,27,29)