ethyl 2-chloranyl-5-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 2-chloro-5-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 2-chloro-5-[2-(3-chloro-N-mesyl-4-methoxy-anilino)propanoylamino]benzoic acid ethyl ester Formula: C20H22Cl2N2O6S MolecularWeight: 489.36948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H22Cl2N2O6S/c1-5-30-20(26)15-10-13(6-8-16(15)21)23-19(25)12(2)24(31(4,27)28)14-7-9-18(29-3)17(22)11-14/h6-12H,5H2,1-4H3,(H,23,25)