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6-chloro-N-(cyanomethyl)-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

HCID 22017239
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C(=O)N1CCOCC1)N1CCC(N(CC#N)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIKey
MMFJBPKSIQNYKR-UHFFFAOYSA-N
Molecular formula
C23H25ClN4O5S
Average molar mass
505 g/mol

Names & identifiers

Preferred name
6-chloro-N-(cyanomethyl)-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
IUPAC
6-chloro-N-(cyanomethyl)-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

Names & synonyms

SCHEMBL5667220

Database identifiers

PubChem CID
22017239

Properties

Computed structural properties

XLogP
2
Topological polar surface area
119 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Formal charge
0
Complexity
925

Related reactions

1 records
New reaction record
HRID 178328 reaction equation
HRID 178328As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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