Chem
J-GLOBAL ID:200907051274924393   Nikkaji number:J1.214.994H

(6S)-5,5-Dimethyl-7-(4-methoxyphenylsulfonyl)-6-[(4-methoxyphenyl)sulfonyl]-1-oxa-4-thia-7-azacyclononane 4,4-dioxide

(6S)-6,7-ビス(4-メトキシベンゼンスルホニル)-5,5-ジメチル-1,4,7-オキサチアゾナン-4,4-ジイウム-4,4-ビス(オラート)
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C22H29NO7[O-]2S2[S+2]
Molecular formula furigana: C22-H29-N-O9-S3
Molecular weight: 547.650
InChI: InChI=1S/C22H29NO9S3/c1-22(2)21(34(26,27)19-9-5-17(30-3)6-10-19)23(13-14-32-15-16-33(22,24)25)35(28,29)20-11-7-18(31-4)8-12-20/h5-12,21H,13-16H2,1-4H3/t21-/m0/s1
InChI key: BJINWCNTPAMPCT-NRFANRHFSA-N
SMILES: COc1ccc(cc1)S(=O)(=O)[C@@H]1N(CCOCC[S+2]([O-])([O-])C1(C)C)S(=O)(=O)c1ccc(OC)cc1
Systematic name  (3):
  • (6S)-5,5-ジメチル-7-(4-メトキシフェニルスルホニル)-6-[(4-メトキシフェニル)スルホニル]-1-オキサ-4-チア-7-アザシクロノナン4,4-ジオキシド
  • (6S)-6,7-ビス(4-メトキシベンゼンスルホニル)-5,5-ジメチル-1,4,7-オキサチアゾナン-4,4-ジイウム-4,4-ビス(オラート)
  • (6S)-6,7-bis(4-methoxybenzenesulfonyl)-5,5-dimethyl-1,4,7-oxathiazonane-4,4-diium-4,4-bis(olate)
Other name (1):
  • (6S)-5,5-Dimethyl-7-(4-methoxyphenylsulfonyl)-6-[(4-methoxyphenyl)sulfonyl]-1-oxa-4-thia-7-azacyclononane 4,4-dioxide
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