1-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methylsulfamoyl]ethyl methanesulfonate

Systemtic Name: 1-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methylsulfamoyl]ethyl methanesulfonate Openeye Name: 1-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methylsulfamoyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 1-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methylsulfamoyl]ethyl ester IUPAC Name: 1-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methylsulfamoyl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 1-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methylsulfamoyl]ethyl ester Formula: C23H31N3O6S3 MolecularWeight: 541.70374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C(C)OS(=O)(=O)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C(C)OS(=O)(=O)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H31N3O6S3/c1-5-26(6-2)14-13-24-19-12-11-17(15-25-35(30,31)16(3)32-34(4,28)29)23-21(19)22(27)18-9-7-8-10-20(18)33-23/h7-12,16,24-25H,5-6,13-15H2,1-4H3