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

Systemtic Name: methyl 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]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(=O)OC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

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