methyl 4-methyl-3-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-[2-(N-mesylanilino)butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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