(1-pyridin-2-ylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name: (1-pyridin-2-ylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: [1-(2-pyridyl)phenothiazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (1-pyridin-2-ylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(2-pyridyl)phenothiazin-10-yl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c1-2-14-27(23,24)25-22-17-10-3-4-11-18(17)26-19-12-7-8-15(20(19)22)16-9-5-6-13-21-16/h3-13H,2,14H2,1H3