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

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-2-methoxy-benzenesulfonamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]-2-methoxy-benzenesulfonamide CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]-2-methoxybenzenesulfonamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]-2-methoxybenzenesulfonamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]-2-methoxy-benzenesulfonamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=CC=C3OC)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=CC=C3OC)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C27H31N3O4S2/c1-4-30(5-2)17-16-28-21-15-14-19(18-29-36(32,33)24-13-9-7-11-22(24)34-3)27-25(21)26(31)20-10-6-8-12-23(20)35-27/h6-15,28-29H,4-5,16-18H2,1-3H3