(2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-nitrobenzenesulfonate

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H18N2O7S2 MolecularWeight: 438.47472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S2/c1-25-16-12-13(18(28)19-8-10-26-11-9-19)6-7-15(16)27-29(23,24)17-5-3-2-4-14(17)20(21)22/h2-7,12H,8-11H2,1H3