ethyl 3-chloranyl-4-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(N-mesyl-3,5-dimethyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S/c1-5-28-20(25)15-6-7-18(17(21)11-15)22-19(24)12-23(29(4,26)27)16-9-13(2)8-14(3)10-16/h6-11H,5,12H2,1-4H3,(H,22,24)