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

Systemtic Name: ethyl 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 2-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OCC)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OCC)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

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