ethyl 3-chloranyl-4-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[2-(4-ethoxy-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-chloro-4-[[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-chloro-4-[2-(4-ethoxy-N-mesyl-anilino)propanoylamino]benzoic acid ethyl ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O6S/c1-5-29-17-10-8-16(9-11-17)24(31(4,27)28)14(3)20(25)23-19-12-7-15(13-18(19)22)21(26)30-6-2/h7-14H,5-6H2,1-4H3,(H,23,25)