2-[2-hydroxyethyl(methyl)amino]ethyl 7-(dipropylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylate hydrochloride

Systemtic Name: 2-[2-hydroxyethyl(methyl)amino]ethyl 7-(dipropylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylate hydrochloride Openeye Name: 2-[2-hydroxyethyl(methyl)amino]ethyl 7-(dipropylsulfamoyl)-9-oxo-xanthene-2-carboxylate hydrochloride CAS Name: 7-(dipropylsulfamoyl)-9-oxo-2-xanthenecarboxylic acid 2-[2-hydroxyethyl(methyl)amino]ethyl ester hydrochloride IUPAC Name: 2-[2-hydroxyethyl(methyl)amino]ethyl 7-(dipropylsulfamoyl)-9-oxoxanthene-2-carboxylate hydrochloride Traditional Name: 7-(dipropylsulfamoyl)-9-keto-xanthene-2-carboxylic acid 2-[2-hydroxyethyl(methyl)amino]ethyl ester hydrochloride Formula: C25H33ClN2O7S MolecularWeight: 541.05672

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)OCCN(C)CCO.Cl

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)OCCN(C)CCO.Cl

InChI

InChI=1S/C25H32N2O7S.ClH/c1-4-10-27(11-5-2)35(31,32)19-7-9-23-21(17-19)24(29)20-16-18(6-8-22(20)34-23)25(30)33-15-13-26(3)12-14-28;/h6-9,16-17,28H,4-5,10-15H2,1-3H3;1H