[1-(6-propylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate

Systemtic Name: [1-(6-propylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Openeye Name: [1-(6-propyl-2-pyridyl)phenothiazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(6-propylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(6-propyl-2-pyridyl)phenothiazin-10-yl] ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=N1)C2=C3C(=CC=C2)SC4=CC=CC=C4N3OS(=O)(=O)CCC

Isomeric SMILES

CCCC1=CC=CC(=N1)C2=C3C(=CC=C2)SC4=CC=CC=C4N3OS(=O)(=O)CCC

InChI

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