2-[bis(2-hydroxyethyl)amino]ethyl 7-(dimethylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethyl 7-(dimethylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethyl 7-(dimethylsulfamoyl)-9-oxo-xanthene-2-carboxylate CAS Name: 7-(dimethylsulfamoyl)-9-oxo-2-xanthenecarboxylic acid 2-[bis(2-hydroxyethyl)amino]ethyl ester IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethyl 7-(dimethylsulfamoyl)-9-oxoxanthene-2-carboxylate Traditional Name: 7-(dimethylsulfamoyl)-9-keto-xanthene-2-carboxylic acid 2-[bis(2-hydroxyethyl)amino]ethyl ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)OCCN(CCO)CCO

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)OCCN(CCO)CCO

InChI

InChI=1S/C22H26N2O8S/c1-23(2)33(29,30)16-4-6-20-18(14-16)21(27)17-13-15(3-5-19(17)32-20)22(28)31-12-9-24(7-10-25)8-11-26/h3-6,13-14,25-26H,7-12H2,1-2H3