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3-(4-Chlorobenzoyl)-6-(1-piperidylsulfonyl)-1,3-benzoxazol-2-one
SpectraBase Compound ID FLXOw609byN
InChI InChI=1S/C19H17ClN2O5S/c20-14-6-4-13(5-7-14)18(23)22-16-9-8-15(12-17(16)27-19(22)24)28(25,26)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2
InChIKey BJQHKJRZBYKDGE-UHFFFAOYSA-N
Mol Weight 420.87 g/mol
Molecular Formula C19H17ClN2O5S
Exact Mass 420.054671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IVvy9uqeDn
Name 3-(4-Chlorobenzoyl)-6-(1-piperidylsulfonyl)-1,3-benzoxazol-2-one
Alternate Name(s) 3-(4-Chlorobenzoyl)-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one 3-(4-Chlorobenzoyl)-6-piperidinosulfonyl-1,3-benzoxazol-2-one 3-(4-Chlorophenyl)carbonyl-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one 3-[(4-chlorophenyl)-oxomethyl]-6-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-one
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Formula C19H17ClN2O5S
InChI InChI=1S/C19H17ClN2O5S/c20-14-6-4-13(5-7-14)18(23)22-16-9-8-15(12-17(16)27-19(22)24)28(25,26)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2
InChIKey BJQHKJRZBYKDGE-UHFFFAOYSA-N
Molecular Weight 420.867 g/mol
SMILES C1CCN(S(c2ccc3N(C(Oc3c2)=O)C(c2ccc(cc2)Cl)=O)(=O)=O)CC1
SPLASH splash10-000i-1900000000-0cc8507bddc9732fdb45
Wiley ID 1458788