9,9-diethyl-2-methyl-10,10-bis(oxidanylidene)-N-(2-pyridin-3-ylethyl)thioxanthene-3-sulfonamide

Systemtic Name: 9,9-diethyl-2-methyl-10,10-bis(oxidanylidene)-N-(2-pyridin-3-ylethyl)thioxanthene-3-sulfonamide Openeye Name: 9,9-diethyl-2-methyl-10,10-dioxo-N-[2-(3-pyridyl)ethyl]thioxanthene-3-sulfonamide CAS Name: 9,9-diethyl-2-methyl-10,10-dioxo-N-[2-(3-pyridinyl)ethyl]-3-thioxanthenesulfonamide IUPAC Name: 9,9-diethyl-2-methyl-10,10-dioxo-N-(2-pyridin-3-ylethyl)thioxanthene-3-sulfonamide Traditional Name: 9,9-diethyl-10,10-diketo-2-methyl-N-[2-(3-pyridyl)ethyl]thioxanthene-3-sulfonamide Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2S(=O)(=O)C3=CC(=C(C=C31)C)S(=O)(=O)NCCC4=CN=CC=C4)CC

Isomeric SMILES

CCC1(C2=CC=CC=C2S(=O)(=O)C3=CC(=C(C=C31)C)S(=O)(=O)NCCC4=CN=CC=C4)CC

InChI

InChI=1S/C25H28N2O4S2/c1-4-25(5-2)20-10-6-7-11-22(20)32(28,29)24-16-23(18(3)15-21(24)25)33(30,31)27-14-12-19-9-8-13-26-17-19/h6-11,13,15-17,27H,4-5,12,14H2,1-3H3