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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-chloro-4-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-chloro-4-[2-(5-chloro-N-mesyl-2-methyl-anilino)propanoylamino]benzoic acid ethyl ester Formula: C20H22Cl2N2O5S MolecularWeight: 473.37008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N2O5S/c1-5-29-20(26)14-7-9-17(16(22)10-14)23-19(25)13(3)24(30(4,27)28)18-11-15(21)8-6-12(18)2/h6-11,13H,5H2,1-4H3,(H,23,25)