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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCCN(C2=CC=CC=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCCN(C2=CC=CC=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C20H24N2O5S/c1-15-17(20(24)27-2)11-7-12-18(15)21-19(23)13-8-14-22(28(3,25)26)16-9-5-4-6-10-16/h4-7,9-12H,8,13-14H2,1-3H3,(H,21,23)