[4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[2,5-dimethyl-3-[4-morpholinyl(sulfanylidene)methyl]-1-pyrrolyl]phenyl] ester IUPAC Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OC)C)C(=S)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OC)C)C(=S)N4CCOCC4

InChI

InChI=1S/C24H26N2O5S2/c1-17-16-23(24(32)25-12-14-30-15-13-25)18(2)26(17)19-4-6-21(7-5-19)31-33(27,28)22-10-8-20(29-3)9-11-22/h4-11,16H,12-15H2,1-3H3