methyl 4-chloranyl-3-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[2-(4-methyl-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 4-chloro-3-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[2-(4-methyl-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 4-chloro-3-[2-(N-mesyl-4-methyl-anilino)propanoylamino]benzoic acid methyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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