ethyl 3-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 3-[2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,5-dimethyl-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(N-mesyl-2,5-dimethyl-anilino)propanoylamino]benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-6-28-21(25)17-8-7-9-18(13-17)22-20(24)16(4)23(29(5,26)27)19-12-14(2)10-11-15(19)3/h7-13,16H,6H2,1-5H3,(H,22,24)