Compound C20H23ClN2O5S

[2-[4-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-diethylazanium;2-hydroxy-2-oxoacetate

CAS: 77711-61-6

Molecular Formula	`C20H23ClN2O5S`
Molecular Weight	438.9 g/mol
Topological Polar Surface Area	136.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	438.10162
Heavy Atoms	29
Complexity	427.0

Chemical Identifiers

CAS Number	77711-61-6
SMILES	`CC[NH+](CC)CC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)Cl.C(=O)(C(=O)[O-])O`
InChIKey	`QGPBPFFATOOKIT-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H23ClN2O5S (CAS: 77711-61-6) is a chemical compound with molecular formula C20H23ClN2O5S and molecular weight 438.9 g/mol. Its IUPAC systematic name is [2-[4-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-diethylazanium;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 136.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 438.10162 Heavy Atoms 29 Complexity 427.0 InChI Key: QGPBPFFATOOKIT-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)Cl.C(=O)(C(=O)[O-])O.

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