methyl 4-chloranyl-3-[2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(5-chloro-2-methoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(5-chloro-N-mesyl-2-methoxy-anilino)acetyl]amino]benzoic acid methyl ester Formula: C18H18Cl2N2O6S MolecularWeight: 461.31632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H18Cl2N2O6S/c1-27-16-7-5-12(19)9-15(16)22(29(3,25)26)10-17(23)21-14-8-11(18(24)28-2)4-6-13(14)20/h4-9H,10H2,1-3H3,(H,21,23)