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887591-35-7 | 1-Piperidinecarboxylicacid, 4-[[3-(aminocarbonyl)phenyl]sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 887591-35-7 Catalog No: AG004BJ8 MDL No:
Product Description
Catalog Number:
AG004BJ8
Chemical Name:
1-Piperidinecarboxylicacid, 4-[[3-(aminocarbonyl)phenyl]sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887591-35-7
Molecular Formula:
C17H24N2O5S
Molecular Weight:
368.4479
IUPAC Name:
tert-butyl 4-(3-carbamoylphenyl)sulfonylpiperidine-1-carboxylate
InChI:
InChI=1S/C17H24N2O5S/c1-17(2,3)24-16(21)19-9-7-13(8-10-19)25(22,23)14-6-4-5-12(11-14)15(18)20/h4-6,11,13H,7-10H2,1-3H3,(H2,18,20)
InChI Key:
BWSUUAQOIIUVJC-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)S(=O)(=O)c1cccc(c1)C(=O)N)OC(C)(C)C
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.141g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.448g/mol
Monoisotopic Mass:
368.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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