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1418113-92-4 | 4-methyl-N-{[(1R,2S,6R,7S)-7-methyl-3,5-dioxo-4,10-dioxatricyclo[5.2.1.0^{2,6}]decan-1-yl]methyl}benzene-1-sulfonamide
CAS No: 1418113-92-4 Catalog No: AG00IU9X MDL No:MFCD20481952
Product Description
Catalog Number:
AG00IU9X
Chemical Name:
4-methyl-N-{[(1R,2S,6R,7S)-7-methyl-3,5-dioxo-4,10-dioxatricyclo[5.2.1.0^{2,6}]decan-1-yl]methyl}benzene-1-sulfonamide
CAS Number:
1418113-92-4
Molecular Formula:
C17H19NO6S
Molecular Weight:
365.4009
MDL Number:
MFCD20481952
IUPAC Name:
4-methyl-N-[[(1R,2R,6R,7S)-7-methyl-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl]benzenesulfonamide
InChI:
InChI=1S/C17H19NO6S/c1-10-3-5-11(6-4-10)25(21,22)18-9-17-8-7-16(2,24-17)12-13(17)15(20)23-14(12)19/h3-6,12-13,18H,7-9H2,1-2H3/t12-,13-,16-,17-/m0/s1
InChI Key:
AXNAZMGNCJOQIB-PYTWLRIVSA-N
SMILES:
O=C1OC(=O)[C@@H]2[C@H]1[C@]1(CC[C@@]2(O1)C)CNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
365.093g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.4g/mol
Monoisotopic Mass:
365.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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