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79422-95-0

79422-95-0 | Piperidine, 1-[(4-cyanophenyl)[(1-naphthalenylsulfonyl)amino]acetyl]-

CAS No: 79422-95-0 Catalog No: AG005K3P MDL No:

Product Description

Catalog Number:
AG005K3P
Chemical Name:
Piperidine, 1-[(4-cyanophenyl)[(1-naphthalenylsulfonyl)amino]acetyl]-
CAS Number:
79422-95-0
Molecular Formula:
C24H23N3O3S
Molecular Weight:
433.5227
IUPAC Name:
N-[1-(4-cyanophenyl)-2-oxo-2-piperidin-1-ylethyl]naphthalene-1-sulfonamide
InChI:
InChI=1S/C24H23N3O3S/c25-17-18-11-13-20(14-12-18)23(24(28)27-15-4-1-5-16-27)26-31(29,30)22-10-6-8-19-7-2-3-9-21(19)22/h2-3,6-14,23,26H,1,4-5,15-16H2
InChI Key:
CZBWSHFVZWNSFJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(C(=O)N1CCCCC1)NS(=O)(=O)c1cccc2c1cccc2

Properties

Complexity:
770  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.146g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
433.526g/mol
Monoisotopic Mass:
433.146g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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