methyl 2-chloranyl-5-[2-[(2,5-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[(2,5-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(2,5-dimethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(N-mesyl-2,5-dimethoxy-anilino)acetyl]amino]benzoic acid methyl ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O7S/c1-27-13-6-8-17(28-2)16(10-13)22(30(4,25)26)11-18(23)21-12-5-7-15(20)14(9-12)19(24)29-3/h5-10H,11H2,1-4H3,(H,21,23)