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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(3-chloro-4-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(3-chloro-N-mesyl-4-methyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C19H20Cl2N2O5S MolecularWeight: 459.3435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N2O5S/c1-4-28-19(25)13-6-8-17(16(21)9-13)22-18(24)11-23(29(3,26)27)14-7-5-12(2)15(20)10-14/h5-10H,4,11H2,1-3H3,(H,22,24)