CAS
94500-44-4 Purity
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94500-44-4 Purity
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Specification
The molecular formula is C16H17NO6S2.
The molecular weight is 383.4 g/mol.
It was created on 2005-03-26 and last modified on 2023-12-30.
The IUPAC name is ethyl 2-[bis(benzenesulfonyl)amino]acetate.
The InChI is InChI=1S/C16H17NO6S2/c1-2-23-16(18)13-17(24(19,20)14-9-5-3-6-10-14)25(21,22)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
It has 7 hydrogen bond acceptors.
The XLogP3-AA value is 2.5.
The topological polar surface area is 115 Ų.
There are 8 rotatable bonds.
Yes, the compound is canonicalized.