1,1-Dimethylethyl 2-{4-[(methylsulfonyl)amino]phenyl}-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate

HCID 66930808

ノート反応

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)OC(=O)N1CCc2cn(-c3ccc(NS(C)(=O)=O)cc3)nc2CC1
InChIKey: SMIGUQBCGWRCHP-UHFFFAOYSA-N
分子式: C19H26N4O4S
平均分子量: 406.5 g/mol
単同位体質量: 406.1674765

名称と識別子

優先名称: 1,1-Dimethylethyl 2-{4-[(methylsulfonyl)amino]phenyl}-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate
IUPAC: tert-butyl 2-[4-(methanesulfonamido)phenyl]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6-carboxylate

名称と別名

SCHEMBL1171291SMIGUQBCGWRCHP-UHFFFAOYSA-N1,1-Dimethylethyl 2-{4-[(methylsulfonyl)amino]phenyl}-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate