methyl 4-chloranyl-3-[2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(3,4-dimethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(N-mesyl-3,4-dimethoxy-anilino)acetyl]amino]benzoic acid methyl ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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