(2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranylbenzenesulfonate

Systemtic Name: (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranylbenzenesulfonate Openeye Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H20ClNO6S2 MolecularWeight: 457.9482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)OC)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)OC)C(=S)N3CCOCC3

InChI

InChI=1S/C19H20ClNO6S2/c1-24-16-11-13(19(28)21-7-9-26-10-8-21)12-17(25-2)18(16)27-29(22,23)15-5-3-14(20)4-6-15/h3-6,11-12H,7-10H2,1-2H3