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

Systemtic Name: methyl 4-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 4-[4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-[[4-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[4-(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:

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C)C

InChI

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