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

Systemtic Name: methyl 2-methyl-3-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 2-methyl-3-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-methyl-3-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-[2-(N-mesyl-4-methyl-anilino)butanoylamino]-2-methyl-benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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