methyl 4,5-dimethoxy-2-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[2-(N-methylsulfonylanilino)butanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[2-(N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-[2-(N-mesylanilino)butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S/c1-6-17(23(31(5,26)27)14-10-8-7-9-11-14)20(24)22-16-13-19(29-3)18(28-2)12-15(16)21(25)30-4/h7-13,17H,6H2,1-5H3,(H,22,24)