(2-bromanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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