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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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