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1002360-22-6 | 1-Piperidinecarboxylic acid, 3-[[(2-bromophenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1002360-22-6 Catalog No: AG0001C0 MDL No:
Product Description
Catalog Number:
AG0001C0
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(2-bromophenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002360-22-6
Molecular Formula:
C16H23BrN2O4S
Molecular Weight:
419.3338
IUPAC Name:
tert-butyl (3S)-3-[(2-bromophenyl)sulfonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O4S/c1-16(2,3)23-15(20)19-10-6-7-12(11-19)18-24(21,22)14-9-5-4-8-13(14)17/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3/t12-/m0/s1
InChI Key:
NAGMNTWRZGHKHS-LBPRGKRZSA-N
SMILES:
O=C(N1CCC[C@@H](C1)NS(=O)(=O)c1ccccc1Br)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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