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Sulfoximine, S-methyl-N-[(4-methylphenyl)sulfonyl]-S-[4-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)oxy]phenyl]-, (S)-
SpectraBase Compound ID 1HA6viXXBxL
InChI InChI=1S/C22H21N5O4S2/c1-16-9-12-19(13-10-16)33(29,30)26-32(3,28)20-14-11-17(2)21(15-20)31-22-23-24-25-27(22)18-7-5-4-6-8-18/h4-15H,1-3H3/t32-/m0/s1
InChIKey GYJFDILADVQPEG-YTTGMZPUSA-N
Mol Weight 483.56 g/mol
Molecular Formula C22H21N5O4S2
Exact Mass 483.103497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDZSOQHhfmr
Name Sulfoximine, S-methyl-N-[(4-methylphenyl)sulfonyl]-S-[4-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)oxy]phenyl]-, (S)-
CAS Registry Number 114916-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5O4S2
InChI InChI=1S/C22H21N5O4S2/c1-16-9-12-19(13-10-16)33(29,30)26-32(3,28)20-14-11-17(2)21(15-20)31-22-23-24-25-27(22)18-7-5-4-6-8-18/h4-15H,1-3H3/t32-/m0/s1
InChIKey GYJFDILADVQPEG-YTTGMZPUSA-N
Molecular Weight 483.561 g/mol
SMILES c1(S(N=[S@](c2cc(Oc3[n](nnn3)-c3ccccc3)c(cc2)C)(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-006x-7911100000-4b242c99ddaafb2c7101
Source of Spectrum F-43-4546-12
Synonyms (+)-2-[5-(1-phenyl)-tetrazolo]-4-(S-methyl-N-[(4-methylphenyl)sulfonyl]-sulfonimidoyl)-toluene 4-Methyl-N-(methyl{4-methyl-3-[(1-phenyl-1H-tetraazol-5-yl)oxy]phenyl}oxido-lambda(4)-sulfanylidene)benzenesulfonamide
Wiley ID 1395785