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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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