Chem
J-GLOBAL ID:200907007784356641   Nikkaji number:J2.010.507K

(5S)-N-[5-(2-Sulfamoylphenyl)-2-pyridinyl]-3-(3-amino-4-chlorophenyl)-5-(1H-tetrazole-1-ylmethyl)-2-isoxazoline-5-carboxamide

(5S)-N-[5-(2-スルファモイルフェニル)-2-ピリジニル]-3-(3-アミノ-4-クロロフェニル)-5-(1H-テトラゾール-1-イルメチル)-2-イソオキサゾリン-5-カルボアミド
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: C23H20ClN9O4S
Molecular formula furigana: C23-H20-CL-N9-O4-S
Molecular weight: 553.980
InChI: InChI=1S/C23H20ClN9O4S/c24-17-7-5-14(9-18(17)25)19-10-23(37-30-19,12-33-13-28-31-32-33)22(34)29-21-8-6-15(11-27-21)16-3-1-2-4-20(16)38(26,35)36/h1-9,11,13H,10,12,25H2,(H2,26,35,36)(H,27,29,34)/t23-/m0/s1
InChI key: GWMQLCDSIBPQFB-QHCPKHFHSA-N
SMILES: Nc1cc(ccc1Cl)C1=NO[C@](Cn2cnnn2)(C1)C(=O)Nc1ccc(cn1)c1ccccc1S(=O)(=O)N
Systematic name  (3):
  • (5S)-N-[5-(2-スルファモイルフェニル)-2-ピリジニル]-3-(3-アミノ-4-クロロフェニル)-5-(1H-テトラゾール-1-イルメチル)-2-イソオキサゾリン-5-カルボアミド
  • (5S)-3-(3-アミノ-4-クロロフェニル)-N-[5-(2-スルファモイルフェニル)ピリジン-2-イル]-5-[(1H-1,2,3,4-テトラゾール-1-イル)メチル]-4,5-ジヒドロ-1,2-オキサゾール-5-カルボキサミド
  • (5S)-3-(3-amino-4-chlorophenyl)-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]-5-[(1H-1,2,3,4-tetrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
Other name (1):
  • (5S)-N-[5-(2-Sulfamoylphenyl)-2-pyridinyl]-3-(3-amino-4-chlorophenyl)-5-(1H-tetrazole-1-ylmethyl)-2-isoxazoline-5-carboxamide
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