ethyl 2-chloranyl-5-[2-[methylsulfonyl(phenyl)amino]propanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-[methylsulfonyl(phenyl)amino]propanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[2-(N-methylsulfonylanilino)propanoylamino]benzoate CAS Name: 2-chloro-5-[[2-(N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[2-(N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 2-chloro-5-[2-(N-mesylanilino)propanoylamino]benzoic acid ethyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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