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

Systemtic Name: methyl 2-chloranyl-5-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(N-mesyl-3,5-dimethyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C)C

InChI

InChI=1S/C19H21ClN2O5S/c1-12-7-13(2)9-15(8-12)22(28(4,25)26)11-18(23)21-14-5-6-17(20)16(10-14)19(24)27-3/h5-10H,11H2,1-4H3,(H,21,23)