methyl 2-chloranyl-5-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[4-[dimethylamino(oxo)methyl]-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[4-(dimethylcarbamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid methyl ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H22ClN3O6S/c1-23(2)19(26)13-5-8-15(9-6-13)24(31(4,28)29)12-18(25)22-14-7-10-17(21)16(11-14)20(27)30-3/h5-11H,12H2,1-4H3,(H,22,25)