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

Systemtic Name: 1-[2-(3-ethylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Openeye Name: 1-[2-(3-ethyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid CAS Name: 1-[2-(3-ethyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonic acid IUPAC Name: 1-[2-(3-ethylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Traditional Name: 1-[2-(3-ethyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=CC=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4N3C(CC)S(=O)(=O)O

Isomeric SMILES

CCC1=C(N=CC=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4N3C(CC)S(=O)(=O)O

InChI

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