Chem
J-GLOBAL ID：201607017702902067   Nikkaji number：J3.476.684C

2-Pentyl-6-sulfamoyl-1,2-benzoisothiazole-3(2H)-one 1,1-dioxide

2-ペンチル-6-スルファモイル-1,2-ベンゾイソチアゾール-3(2H)-オン1,1-ジオキシド
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： C12H16N2O3[O-]2S[S+2]
Molecular formula furigana： C12-H16-N2-O5-S2
Molecular weight： 332.390
InChI： InChI=1S/C12H16N2O5S2/c1-2-3-4-7-14-12(15)10-6-5-9(20(13,16)17)8-11(10)21(14,18)19/h5-6,8H,2-4,7H2,1H3,(H2,13,16,17)
InChI key： QOTXJOQNXMTXOU-UHFFFAOYSA-N
SMILES： CCCCCN1C(=O)c2ccc(cc2[S+2]1([O-])[O-])S(=O)(=O)N
Systematic name  (3)：
  • 2-ペンチル-6-スルファモイル-1,2-ベンゾイソチアゾール-3(2H)-オン1,1-ジオキシド
  • 3-オキソ-2-ペンチル-6-スルファモイル-2,3-ジヒドロ-1H-1,2-ベンゾチアゾール-1,1-ジイウム-1,1-ビス(オラート)
  • 3-oxo-2-pentyl-6-sulfamoyl-2,3-dihydro-1H-1,2-benzothiazole-1,1-diium-1,1-bis(olate)
Other name (1)：
  • 2-Pentyl-6-sulfamoyl-1,2-benzoisothiazole-3(2H)-one 1,1-dioxide
Thsaurus map：
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