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

Systemtic Name: [1-(3-bromanylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Openeye Name: [1-(3-bromo-2-pyridyl)phenothiazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(3-bromopyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(3-bromo-2-pyridyl)phenothiazin-10-yl] ester Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3S2/c1-2-13-28(24,25)26-23-16-9-3-4-10-17(16)27-18-11-5-7-14(20(18)23)19-15(21)8-6-12-22-19/h3-12H,2,13H2,1H3