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

Systemtic Name: (2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) benzenesulfonate Openeye Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-bromo-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H20BrNO5S2 MolecularWeight: 486.3998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20BrNO5S2/c1-2-25-17-13-14(19(27)21-8-10-24-11-9-21)12-16(20)18(17)26-28(22,23)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3