1-(2-diethylaminoethylamino)-1-(7-oxidanyl-9-oxidanylidene-thioxanthen-4-yl)ethanesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(C)(C1=CC=CC2=C1SC3=C(C2=O)C=C(C=C3)O)S(=O)(=O)N

Isomeric SMILES

CCN(CC)CCNC(C)(C1=CC=CC2=C1SC3=C(C2=O)C=C(C=C3)O)S(=O)(=O)N

InChI

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