N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]-4-fluoro-benzenesulfonamide CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]-4-fluorobenzenesulfonamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]-4-fluoro-benzenesulfonamide Formula: C26H28FN3O3S2 MolecularWeight: 513.647223

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=C(C=C3)F)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=C(C=C3)F)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C26H28FN3O3S2/c1-3-30(4-2)16-15-28-22-14-9-18(17-29-35(32,33)20-12-10-19(27)11-13-20)26-24(22)25(31)21-7-5-6-8-23(21)34-26/h5-14,28-29H,3-4,15-17H2,1-2H3