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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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