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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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