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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON1C2=CC=CC=C2SC3=CC=CC(=C31)C4=C(C=CC=N4)C

Isomeric SMILES

CCCS(=O)(=O)ON1C2=CC=CC=C2SC3=CC=CC(=C31)C4=C(C=CC=N4)C

InChI

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