[1-(2-dimethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methylsulfamoylmethyl methanesulfonate

Systemtic Name: [1-(2-dimethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methylsulfamoylmethyl methanesulfonate Openeye Name: [1-(2-dimethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methylsulfamoylmethyl methanesulfonate CAS Name: methanesulfonic acid [1-(2-dimethylaminoethylamino)-9-oxo-4-thioxanthenyl]methylsulfamoylmethyl ester IUPAC Name: [1-(2-dimethylaminoethylamino)-9-oxothioxanthen-4-yl]methylsulfamoylmethyl methanesulfonate Traditional Name: methanesulfonic acid [1-(2-dimethylaminoethylamino)-9-keto-thioxanthen-4-yl]methylsulfamoylmethyl ester Formula: C20H25N3O6S3 MolecularWeight: 499.624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)COS(=O)(=O)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CN(C)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)COS(=O)(=O)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H25N3O6S3/c1-23(2)11-10-21-16-9-8-14(12-22-32(27,28)13-29-31(3,25)26)20-18(16)19(24)15-6-4-5-7-17(15)30-20/h4-9,21-22H,10-13H2,1-3H3