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2-nitro-N-[2-(7-oxo-7H-furo[2,3-c]pyridin-6-yl)ethyl]-N-[3-(tetrahydropyran-2-yloxy)propyl]benzenesulfonamide

HCID 68675136
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=c1c2occc2ccn1CCN(CCCOC1CCCCO1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIKey
TZIUOUDGPNOWED-UHFFFAOYSA-N
Molecular formula
C23H27N3O8S
Average molar mass
505.5 g/mol

Names & identifiers

Preferred name
2-nitro-N-[2-(7-oxo-7H-furo[2,3-c]pyridin-6-yl)ethyl]-N-[3-(tetrahydropyran-2-yloxy)propyl]benzenesulfonamide
IUPAC
2-nitro-N-[3-(oxan-2-yloxy)propyl]-N-[2-(7-oxofuro[2,3-c]pyridin-6-yl)ethyl]benzenesulfonamide

Names & synonyms

SCHEMBL3520958TZIUOUDGPNOWED-UHFFFAOYSA-N2-nitro-N-[2-(7-oxo-7H-furo[2,3-c]pyridin-6-yl)ethyl]-N-[3-(tetra hydropyran-2-yloxy)propyl]benzenesulfonamide2-nitro-N-[2-(7-oxo-7H-furo[2,3-c]pyridin-6-yl)ethyl]-N-[3-(tetrahydropyran-2-yloxy)propyl]benzenesulfonamide

Database identifiers

PubChem CID
68675136

Properties

Computed structural propertiesFilling in

XLogP
2.7
Topological polar surface area
143 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
35
Formal charge
0
Complexity
871

Related reactions

3 records
New reaction record
HRID 105855 reaction equation
HRID 105855As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1183080 reaction equation
HRID 1183080As productuspto-grants-2014_03
HRID 2196064 reaction equation
HRID 2196064As productuspto-grants-2012_12

Compound notes

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