methyl 4,5-dimethoxy-2-[2-[methylsulfonyl-(2-phenoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[methylsulfonyl-(2-phenoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(N-methylsulfonyl-2-phenoxy-anilino)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(N-methylsulfonyl-2-phenoxyanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(N-mesyl-2-phenoxy-anilino)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C25H26N2O8S MolecularWeight: 514.54754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN(C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN(C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C25H26N2O8S/c1-32-22-14-18(25(29)34-3)19(15-23(22)33-2)26-24(28)16-27(36(4,30)31)20-12-8-9-13-21(20)35-17-10-6-5-7-11-17/h5-15H,16H2,1-4H3,(H,26,28)