Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

I7C

概要
表記:4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE
組成式:C7 H8 F3 N3 O4 S2
電荷:0
化学式量:319.281 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.044-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
OpenEye OEToolkits1.5.04-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=S(=O)(c1cc(c(cc1N)C(F)(F)F)S(=O)(=O)N)N
SMILES_CANONICALCACTVS3.341Nc1cc(c(cc1[S](N)(=O)=O)[S](N)(=O)=O)C(F)(F)F
SMILESCACTVS3.341Nc1cc(c(cc1[S](N)(=O)=O)[S](N)(=O)=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F
InChIInChI1.03InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
InChIKeyInChI1.03KRVABEGPNKGLOT-UHFFFAOYSA-N

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon