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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=N1)C2=C3C(=CC=C2)SC4=CC=CC=C4N3OS(=O)(=O)CCC

Isomeric SMILES

CCCCC1=CC=CC(=N1)C2=C3C(=CC=C2)SC4=CC=CC=C4N3OS(=O)(=O)CCC

InChI

InChI=1S/C24H26N2O3S2/c1-3-5-10-18-11-8-13-20(25-18)19-12-9-16-23-24(19)26(29-31(27,28)17-4-2)21-14-6-7-15-22(21)30-23/h6-9,11-16H,3-5,10,17H2,1-2H3