1-[2-(3-methylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid

Systemtic Name: 1-[2-(3-methylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Openeye Name: 1-[2-(3-methyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid CAS Name: 1-[2-(3-methyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonic acid IUPAC Name: 1-[2-(3-methylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Traditional Name: 1-[2-(3-methyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=CC=CC=C2SC3=C1C=C(C=C3)C4=C(C=CC=N4)C)S(=O)(=O)O

Isomeric SMILES

CCC(N1C2=CC=CC=C2SC3=C1C=C(C=C3)C4=C(C=CC=N4)C)S(=O)(=O)O

InChI

InChI=1S/C21H20N2O3S2/c1-3-20(28(24,25)26)23-16-8-4-5-9-18(16)27-19-11-10-15(13-17(19)23)21-14(2)7-6-12-22-21/h4-13,20H,3H2,1-2H3,(H,24,25,26)