dimethyl 5-[(2-chloranyl-5-methylsulfonyl-phenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-chloranyl-5-methylsulfonyl-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-chloro-5-methylsulfonyl-benzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-chloro-5-methylsulfonylphenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-chloro-5-methylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chloro-5-mesyl-benzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16ClNO7S MolecularWeight: 425.84014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C(=O)OC

InChI

InChI=1S/C18H16ClNO7S/c1-26-17(22)10-6-11(18(23)27-2)8-12(7-10)20-16(21)14-9-13(28(3,24)25)4-5-15(14)19/h4-9H,1-3H3,(H,20,21)