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10099-20-4 | Piperidine, 1,1'-[bis(benzylsulfonyl)vinylidene]di- (8CI)
CAS No: 10099-20-4 Catalog No: AG0003EI MDL No:
Product Description
Catalog Number:
AG0003EI
Chemical Name:
Piperidine, 1,1'-[bis(benzylsulfonyl)vinylidene]di- (8CI)
CAS Number:
10099-20-4
Molecular Formula:
C26H34N2O4S2
Molecular Weight:
502.6892
IUPAC Name:
1-[2,2-bis(benzylsulfonyl)-1-piperidin-1-ylethenyl]piperidine
InChI:
InChI=1S/C26H34N2O4S2/c29-33(30,21-23-13-5-1-6-14-23)26(34(31,32)22-24-15-7-2-8-16-24)25(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-2,5-8,13-16H,3-4,9-12,17-22H2
InChI Key:
OIOLNDUSFYQBNV-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(=C(N1CCCCC1)N1CCCCC1)S(=O)(=O)Cc1ccccc1)Cc1ccccc1
NSC Number:
140312
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.196g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.688g/mol
Monoisotopic Mass:
502.196g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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