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A1ATU

概要
表記:4-(3-methylanilino)-N-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide
組成式:C16 H20 N4 O3 S
電荷:0
化学式量:348.42 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.014-(3-methylanilino)-N-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide
OpenEye OEToolkits2.0.71-[4-[(3-methylphenyl)amino]pyridin-3-yl]sulfonyl-3-propan-2-yl-urea

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=S(=O)(NC(=O)NC(C)C)c1cnccc1Nc1cc(C)ccc1
InChIInChI1.06InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
InChIKeyInChI1.06NGBFQHCMQULJNZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)NC(=O)N[S](=O)(=O)c1cnccc1Nc2cccc(C)c2
SMILESCACTVS3.385CC(C)NC(=O)N[S](=O)(=O)c1cnccc1Nc2cccc(C)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C

236060

件を2025-05-14に公開中

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