dimethyl 5-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-chloro-5-morpholinosulfonyl-benzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chloro-5-morpholinosulfonyl-benzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21ClN2O8S MolecularWeight: 496.91804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C(=O)OC

InChI

InChI=1S/C21H21ClN2O8S/c1-30-20(26)13-9-14(21(27)31-2)11-15(10-13)23-19(25)17-12-16(3-4-18(17)22)33(28,29)24-5-7-32-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,23,25)