Chem
J-GLOBAL ID:200907027717883093   Nikkaji number:J1.080.330F

N-[(αS)-α-(Methylcarbamoyl)-3-amidinophenethyl]-2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonamide

N-[(αS)-α-(メチルカルバモイル)-3-アミジノフェネチル]-2,2,5,7,8-ペンタメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-6-スルホンアミド
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: C25H34N4O4S
Molecular formula furigana: C25-H34-N4-O4-S
Molecular weight: 486.630
InChI: InChI=1S/C25H34N4O4S/c1-14-15(2)22(16(3)19-10-11-25(4,5)33-21(14)19)34(31,32)29-20(24(30)28-6)13-17-8-7-9-18(12-17)23(26)27/h7-9,12,20,29H,10-11,13H2,1-6H3,(H3,26,27)(H,28,30)/t20-/m0/s1
InChI key: OWDNSFWNCZGHPG-FQEVSTJZSA-N
SMILES: CNC(=O)[C@H](Cc1cccc(c1)C(=N)N)NS(=O)(=O)c1c(C)c(C)c2OC(C)(C)CCc2c1C
Systematic name  (3):
  • N-[(αS)-α-(メチルカルバモイル)-3-アミジノフェネチル]-2,2,5,7,8-ペンタメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-6-スルホンアミド
  • (2S)-3-(3-カルバムイミドイルフェニル)-N-メチル-2-(2,2,5,7,8-ペンタメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-6-スルホンアミド)プロパンアミド
  • (2S)-3-(3-carbamimidoylphenyl)-N-methyl-2-(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonamido)propanamide
Other name (1):
  • N-[(αS)-α-(Methylcarbamoyl)-3-amidinophenethyl]-2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonamide
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