[1-(3-propylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate

Systemtic Name: [1-(3-propylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Openeye Name: [1-(3-propyl-2-pyridyl)phenothiazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(3-propylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(3-propyl-2-pyridyl)phenothiazin-10-yl] ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=CC=C1)C2=C3C(=CC=C2)SC4=CC=CC=C4N3OS(=O)(=O)CCC

Isomeric SMILES

CCCC1=C(N=CC=C1)C2=C3C(=CC=C2)SC4=CC=CC=C4N3OS(=O)(=O)CCC

InChI

InChI=1S/C23H24N2O3S2/c1-3-9-17-10-8-15-24-22(17)18-11-7-14-21-23(18)25(28-30(26,27)16-4-2)19-12-5-6-13-20(19)29-21/h5-8,10-15H,3-4,9,16H2,1-2H3