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1289388-56-2 | 1-Piperidinecarboxylic acid, 4-[[(4-chlorophenyl)sulfonyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289388-56-2 Catalog No: AG000YNS MDL No:
Product Description
Catalog Number:
AG000YNS
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(4-chlorophenyl)sulfonyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289388-56-2
Molecular Formula:
C17H24ClNO4S
Molecular Weight:
373.8948
IUPAC Name:
tert-butyl 4-[(4-chlorophenyl)sulfonylmethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H24ClNO4S/c1-17(2,3)23-16(20)19-10-8-13(9-11-19)12-24(21,22)15-6-4-14(18)5-7-15/h4-7,13H,8-12H2,1-3H3
InChI Key:
GRQGZWDMDLUAPY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)CS(=O)(=O)c1ccc(cc1)Cl)OC(C)(C)C
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.892g/mol
Monoisotopic Mass:
373.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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