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

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethyl 7-(dimethylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylate hydrochloride Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethyl 7-(dimethylsulfamoyl)-9-oxo-xanthene-2-carboxylate hydrochloride CAS Name: 7-(dimethylsulfamoyl)-9-oxo-2-xanthenecarboxylic acid 2-[bis(2-hydroxyethyl)amino]ethyl ester hydrochloride IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethyl 7-(dimethylsulfamoyl)-9-oxoxanthene-2-carboxylate hydrochloride Traditional Name: 7-(dimethylsulfamoyl)-9-keto-xanthene-2-carboxylic acid 2-[bis(2-hydroxyethyl)amino]ethyl ester hydrochloride Formula: C22H27ClN2O8S MolecularWeight: 514.97638

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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.Cl

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.Cl

InChI

InChI=1S/C22H26N2O8S.ClH/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;1H