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N-[2-[(3aS,6aR)-3-(4-methoxyphenyl)-5-methyl-4,6-bis(oxidanylidene)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]ethyl]-4-chloranyl-benzenesulfonamide
SpectraBase Compound ID KHQPdYtjvQC
InChI InChI=1S/C21H22ClN3O6S/c1-24-20(26)17-18(13-3-7-15(30-2)8-4-13)25(31-19(17)21(24)27)12-11-23-32(28,29)16-9-5-14(22)6-10-16/h3-10,17-19,23H,11-12H2,1-2H3/t17-,18?,19+/m0/s1
InChIKey CQFZXHVXUHBDDT-LJJQOFDWSA-N
Mol Weight 479.94 g/mol
Molecular Formula C21H22ClN3O6S
Exact Mass 479.091784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Irf46QPcGis
Name N-[2-[(3aS,6aR)-3-(4-methoxyphenyl)-5-methyl-4,6-bis(oxidanylidene)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]ethyl]-4-chloranyl-benzenesulfonamide
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Formula C21H22ClN3O6S
InChI InChI=1S/C21H22ClN3O6S/c1-24-20(26)17-18(13-3-7-15(30-2)8-4-13)25(31-19(17)21(24)27)12-11-23-32(28,29)16-9-5-14(22)6-10-16/h3-10,17-19,23H,11-12H2,1-2H3/t17-,18?,19+/m0/s1
InChIKey CQFZXHVXUHBDDT-LJJQOFDWSA-N
Molecular Weight 479.935 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)CCN1O[C@@]2([C@@](C(=O)N(C2=O)C)(C1c1ccc(cc1)OC)[H])[H]
SPLASH splash10-01vk-0900000000-5b7d540d56f745ebe31d
Source of Spectrum KC-57-7958-19
Synonyms N-[2-[(3aS,6aR)-3-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazol-2-yl]ethyl]-4-chloro-benzenesulfonamide N-[2-[(3aS,6aR)-3-(4-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]ethyl]-4-chlorobenzenesulfonamide N-[2-[(3aS,6aR)-4,6-diketo-3-(4-methoxyphenyl)-5-methyl-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazol-2-yl]ethyl]-4-chloro-benzenesulfonamide
Wiley ID 1625760