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1,4-Benzodioxin-6-sulfonamide, N-(4-fluorophenyl)-N-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-2,3-dihydro-
SpectraBase Compound ID 8rL3VoPTsVV
InChI InChI=1S/C22H25FN2O5S/c23-17-5-7-18(8-6-17)25(16-22(26)24-11-3-1-2-4-12-24)31(27,28)19-9-10-20-21(15-19)30-14-13-29-20/h5-10,15H,1-4,11-14,16H2
InChIKey KBUORTNJUKXCCI-UHFFFAOYSA-N
Mol Weight 448.51 g/mol
Molecular Formula C22H25FN2O5S
Exact Mass 448.146821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NHENhZPXrQ
Name 1,4-Benzodioxin-6-sulfonamide, N-(4-fluorophenyl)-N-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-2,3-dihydro-
Alternate Name(s) N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
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Formula C22H25FN2O5S
InChI InChI=1S/C22H25FN2O5S/c23-17-5-7-18(8-6-17)25(16-22(26)24-11-3-1-2-4-12-24)31(27,28)19-9-10-20-21(15-19)30-14-13-29-20/h5-10,15H,1-4,11-14,16H2
InChIKey KBUORTNJUKXCCI-UHFFFAOYSA-N
Molecular Weight 448.509 g/mol
SMILES C1CCN(C(CN(S(c2cc3OCCOc3cc2)(=O)=O)c2ccc(cc2)F)=O)CCC1
SPLASH splash10-006t-3911000000-5220848b743f1bbe8a5b
Source of Spectrum IY-1-4540-2
Wiley ID 1653385