(2-methoxy-6-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (2-methoxy-6-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate Openeye Name: [2-methoxy-6-(morpholine-4-carbothioyl)phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-methoxy-6-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-6-(morpholine-4-carbothioyl)phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-methoxy-6-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H18BrNO5S2 MolecularWeight: 472.37322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)Br)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)Br)C(=S)N3CCOCC3

InChI

InChI=1S/C18H18BrNO5S2/c1-23-16-4-2-3-15(18(26)20-9-11-24-12-10-20)17(16)25-27(21,22)14-7-5-13(19)6-8-14/h2-8H,9-12H2,1H3