1-[2,4-bis(3-propylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate

Systemtic Name: 1-[2,4-bis(3-propylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate Openeye Name: 1-[2,4-bis(3-propyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonate CAS Name: 1-[2,4-bis(3-propyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonate IUPAC Name: 1-[2,4-bis(3-propylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate Traditional Name: 1-[2,4-bis(3-propyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonate Formula: C31H32N3O3S2- MolecularWeight: 558.73408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=CC=C1)C2=CC(=C3C(=C2)N(C4=CC=CC=C4S3)C(CC)S(=O)(=O)[O-])C5=C(C=CC=N5)CCC

Isomeric SMILES

CCCC1=C(N=CC=C1)C2=CC(=C3C(=C2)N(C4=CC=CC=C4S3)C(CC)S(=O)(=O)[O-])C5=C(C=CC=N5)CCC

InChI

InChI=1S/C31H33N3O3S2/c1-4-11-21-13-9-17-32-29(21)23-19-24(30-22(12-5-2)14-10-18-33-30)31-26(20-23)34(28(6-3)39(35,36)37)25-15-7-8-16-27(25)38-31/h7-10,13-20,28H,4-6,11-12H2,1-3H3,(H,35,36,37)/p-1