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

Systemtic Name: [1-(3-ethylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Openeye Name: [1-(3-ethyl-2-pyridyl)phenothiazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(3-ethylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(3-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=C(C=CC=N4)CC

Isomeric SMILES

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

InChI

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