(1S,2S,4S)-4-(4-bromo-2-trifluoromethyl-benzenesulfonyl)-2-ethoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide

HCID 59619371
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Basic information

Standard SMILES
CCO[C@H]1C[C@@H](S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C[C@@H]1C(=O)NC1(C#N)CC1
InChIKey
XQCNSGCASCOBOR-YDHLFZDLSA-N
Molecular formula
C19H20BrF3N2O4S
Average molar mass
509.3 g/mol

Names & identifiers

Preferred name
(1S,2S,4S)-4-(4-bromo-2-trifluoromethyl-benzenesulfonyl)-2-ethoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
IUPAC
(1S,2S,4S)-4-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-ethoxycyclopentane-1-carboxamide

Names & synonyms

(1S,2S,4S)-4-(4-bromo-2-trifluoromethyl-benzenesulfonyl)-2-ethoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139369

Database identifiers

PubChem CID
59619371

Properties

Computed structural properties

XLogP
3
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
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Compound notes

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