N-[[1-(2-diethylaminoethylamino)-7-oxidanyl-9-oxidanylidene-thioxanthen-4-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-7-oxidanyl-9-oxidanylidene-thioxanthen-4-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-7-hydroxy-9-oxo-thioxanthen-4-yl]methyl]methanesulfonamide CAS Name: N-[[1-(2-diethylaminoethylamino)-7-hydroxy-9-oxo-4-thioxanthenyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-7-hydroxy-9-oxothioxanthen-4-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-7-hydroxy-9-keto-thioxanthen-4-yl]methyl]methanesulfonamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)SC3=C(C2=O)C=C(C=C3)O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)SC3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C21H27N3O4S2/c1-4-24(5-2)11-10-22-17-8-6-14(13-23-30(3,27)28)21-19(17)20(26)16-12-15(25)7-9-18(16)29-21/h6-9,12,22-23,25H,4-5,10-11,13H2,1-3H3