cis-2-[(4-Chlorobenzenesulfonyl)-(4-cyano-benzyl)-amino]-cycloheptanecarboxylic acid amide

HCID 69656281
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Basic information

Standard SMILES
N#Cc1ccc(CN([C@H]2CCCCC[C@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIKey
QVUJHIZHEVJKFL-RTWAWAEBSA-N
Molecular formula
C22H24ClN3O3S
Average molar mass
446 g/mol

Names & identifiers

Preferred name
cis-2-[(4-Chlorobenzenesulfonyl)-(4-cyano-benzyl)-amino]-cycloheptanecarboxylic acid amide
IUPAC
cis-(1R,2S)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]cycloheptane-1-carboxamide

Names & synonyms

SCHEMBL6078801QVUJHIZHEVJKFL-RTWAWAEBSA-Ncis-2-[(4-Chlorobenzenesulfonyl)-(4-cyano-benzyl)-amino]-cycloheptanecarboxylic acid amide

Database identifiers

PubChem CID
69656281

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
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Compound notes

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cis-2-[(4-Chlorobenzenesulfonyl)-(4-cyano-benzyl)-amino]-cycloheptanecarboxylic acid amide (HCID 69656281)｜Huagongshe