[1-(6-ethylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate

Systemtic Name: [1-(6-ethylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Openeye Name: [1-(6-ethyl-2-pyridyl)phenothiazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(6-ethylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(6-ethyl-2-pyridyl)phenothiazin-10-yl] ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-3-15-29(25,26)27-24-19-12-5-6-13-20(19)28-21-14-8-10-17(22(21)24)18-11-7-9-16(4-2)23-18/h5-14H,3-4,15H2,1-2H3