6-Chloro-N-(cyanomethyl)-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide

HCID 86593863

Basic information

Standard SMILES
C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](N(CC#N)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIKey
PZEJKTBNNFEUCR-JTSKRJEESA-N
Molecular formula
C24H27ClN4O4S
Average molar mass
503 g/mol

Names & identifiers

Preferred name
6-Chloro-N-(cyanomethyl)-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
IUPAC
6-chloro-N-(cyanomethyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]naphthalene-2-sulfonamide

Names & synonyms

SCHEMBL5143442PZEJKTBNNFEUCR-JTSKRJEESA-N6-Chloro-N-(cyanomethyl)-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide

Database identifiers

PubChem CID
86593863

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
110 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
34

Related reactions

3 records

Linked notes

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