ethyl 3-chloranyl-4-[2-[(4-ethoxyphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-ethoxyphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[N-(benzenesulfonyl)-4-ethoxy-anilino]acetyl]amino]-3-chloro-benzoate CAS Name: 4-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]-1-oxoethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]amino]-3-chlorobenzoate Traditional Name: 4-[[2-(N-besyl-4-ethoxy-anilino)acetyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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