methyl 2-chloranyl-5-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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