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101730-55-6 | 4-Piperidinecarboxylic acid, 4-phenyl-1-(phenylsulfonyl)-
CAS No: 101730-55-6 Catalog No: AG0005CL MDL No:MFCD06363744
Product Description
Catalog Number:
AG0005CL
Chemical Name:
4-Piperidinecarboxylic acid, 4-phenyl-1-(phenylsulfonyl)-
CAS Number:
101730-55-6
Molecular Formula:
C18H19NO4S
Molecular Weight:
345.4128
MDL Number:
MFCD06363744
IUPAC Name:
1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C18H19NO4S/c20-17(21)18(15-7-3-1-4-8-15)11-13-19(14-12-18)24(22,23)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21)
InChI Key:
BPUOHSNLBQSJJC-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.413g/mol
Monoisotopic Mass:
345.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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