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

Systemtic Name: 1-[2-(3-propylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate Openeye Name: 1-[2-(3-propyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonate CAS Name: 1-[2-(3-propyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonate IUPAC Name: 1-[2-(3-propylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate Traditional Name: 1-[2-(3-propyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonate Formula: C23H23N2O3S2- MolecularWeight: 439.57032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=CC=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4N3C(CC)S(=O)(=O)[O-]

Isomeric SMILES

CCCC1=C(N=CC=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4N3C(CC)S(=O)(=O)[O-]

InChI

InChI=1S/C23H24N2O3S2/c1-3-8-16-9-7-14-24-23(16)17-12-13-21-19(15-17)25(22(4-2)30(26,27)28)18-10-5-6-11-20(18)29-21/h5-7,9-15,22H,3-4,8H2,1-2H3,(H,26,27,28)/p-1