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

Systemtic Name: ethyl 4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate Openeye Name: ethyl 4-[2-(N-methylsulfonylanilino)butanoylamino]benzoate CAS Name: 4-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[2-(N-mesylanilino)butanoylamino]benzoic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-4-18(22(28(3,25)26)17-9-7-6-8-10-17)19(23)21-16-13-11-15(12-14-16)20(24)27-5-2/h6-14,18H,4-5H2,1-3H3,(H,21,23)