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1002360-20-4 | 1-Piperidinecarboxylic acid, 3-[[(3-bromophenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1002360-20-4 Catalog No: AG0001C1 MDL No:
Product Description
Catalog Number:
AG0001C1
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(3-bromophenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002360-20-4
Molecular Formula:
C16H23BrN2O4S
Molecular Weight:
419.3338
IUPAC Name:
tert-butyl (3R)-3-[(3-bromophenyl)sulfonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O4S/c1-16(2,3)23-15(20)19-9-5-7-13(11-19)18-24(21,22)14-8-4-6-12(17)10-14/h4,6,8,10,13,18H,5,7,9,11H2,1-3H3/t13-/m1/s1
InChI Key:
WPTMNTACYHEVPD-CYBMUJFWSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)N[C@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
418.056g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.334g/mol
Monoisotopic Mass:
418.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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