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

Systemtic Name: N-(2-cyanoethyl)-9,9-diethyl-2-methyl-10,10-bis(oxidanylidene)thioxanthene-3-sulfonamide Openeye Name: N-(2-cyanoethyl)-9,9-diethyl-2-methyl-10,10-dioxo-thioxanthene-3-sulfonamide CAS Name: N-(2-cyanoethyl)-9,9-diethyl-2-methyl-10,10-dioxo-3-thioxanthenesulfonamide IUPAC Name: N-(2-cyanoethyl)-9,9-diethyl-2-methyl-10,10-dioxothioxanthene-3-sulfonamide Traditional Name: N-(2-cyanoethyl)-9,9-diethyl-10,10-diketo-2-methyl-thioxanthene-3-sulfonamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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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)NCCC#N)CC

Isomeric SMILES

CCC1(C2=CC=CC=C2S(=O)(=O)C3=CC(=C(C=C31)C)S(=O)(=O)NCCC#N)CC

InChI

InChI=1S/C21H24N2O4S2/c1-4-21(5-2)16-9-6-7-10-18(16)28(24,25)20-14-19(15(3)13-17(20)21)29(26,27)23-12-8-11-22/h6-7,9-10,13-14,23H,4-5,8,12H2,1-3H3