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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(3,4-dimethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(N-mesyl-3,4-dimethoxy-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C20H23ClN2O7S MolecularWeight: 470.92382

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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)OC)OC)S(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O7S/c1-5-30-20(25)13-6-8-16(15(21)10-13)22-19(24)12-23(31(4,26)27)14-7-9-17(28-2)18(11-14)29-3/h6-11H,5,12H2,1-4H3,(H,22,24)