(2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate Openeye Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-methoxy-5-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H18BrNO5S2 MolecularWeight: 472.37322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

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