methyl 3-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: methyl 3-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 3-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 3-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-[4-(N-mesyl-2,5-dimethyl-anilino)butanoylamino]benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-10-11-16(2)19(13-15)23(29(4,26)27)12-6-9-20(24)22-18-8-5-7-17(14-18)21(25)28-3/h5,7-8,10-11,13-14H,6,9,12H2,1-4H3,(H,22,24)