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

Systemtic Name: (2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranylbenzenesulfonate Openeye Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-bromo-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H19BrClNO5S2 MolecularWeight: 520.84486

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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClNO5S2/c1-2-26-17-12-13(19(28)22-7-9-25-10-8-22)11-16(20)18(17)27-29(23,24)15-5-3-14(21)4-6-15/h3-6,11-12H,2,7-10H2,1H3