[2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]indol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]indol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylene]indol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-3-indolyl] ester IUPAC Name: [2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]indol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(homoveratrylamino)methylene]indol-3-yl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC=CC3=NC2=CNCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC=CC3=NC2=CNCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H26N2O5S/c1-18-8-11-20(12-9-18)34(29,30)33-26-21-6-4-5-7-22(21)28-23(26)17-27-15-14-19-10-13-24(31-2)25(16-19)32-3/h4-13,16-17,27H,14-15H2,1-3H3