[1-(6-bromanylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate

Systemtic Name: [1-(6-bromanylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate Openeye Name: [1-(6-bromo-2-pyridyl)phenoxazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(6-bromopyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(6-bromo-2-pyridyl)phenoxazin-10-yl] ester Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON1C2=CC=CC=C2OC3=CC=CC(=C31)C4=NC(=CC=C4)Br

Isomeric SMILES

CCCS(=O)(=O)ON1C2=CC=CC=C2OC3=CC=CC(=C31)C4=NC(=CC=C4)Br

InChI

InChI=1S/C20H17BrN2O4S/c1-2-13-28(24,25)27-23-16-9-3-4-10-17(16)26-18-11-5-7-14(20(18)23)15-8-6-12-19(21)22-15/h3-12H,2,13H2,1H3