[1-(3,6-diethylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate

Systemtic Name: [1-(3,6-diethylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Openeye Name: [1-(3,6-diethyl-2-pyridyl)phenothiazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(3,6-diethylpyridin-2-yl)phenothiazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(3,6-diethyl-2-pyridyl)phenothiazin-10-yl] ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S2/c1-4-16-31(27,28)29-26-20-11-7-8-12-21(20)30-22-13-9-10-19(24(22)26)23-17(5-2)14-15-18(6-3)25-23/h7-15H,4-6,16H2,1-3H3