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

Systemtic Name: 1-[2-(3-butylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Openeye Name: 1-[2-(3-butyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid CAS Name: 1-[2-(3-butyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonic acid IUPAC Name: 1-[2-(3-butylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Traditional Name: 1-[2-(3-butyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=CC=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4N3C(CC)S(=O)(=O)O

Isomeric SMILES

CCCCC1=C(N=CC=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4N3C(CC)S(=O)(=O)O

InChI

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