methyl 4-chloranyl-3-[2-[(4-chlorophenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-chlorophenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[2-(4-chloro-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 4-chloro-3-[[2-(4-chloro-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[2-(4-chloro-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 4-chloro-3-[2-(4-chloro-N-mesyl-anilino)propanoylamino]benzoic acid methyl ester Formula: C18H18Cl2N2O5S MolecularWeight: 445.31692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H18Cl2N2O5S/c1-11(22(28(3,25)26)14-7-5-13(19)6-8-14)17(23)21-16-10-12(18(24)27-2)4-9-15(16)20/h4-11H,1-3H3,(H,21,23)