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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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