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EW0

概要
表記:7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide
組成式:C24 H22 Cl N3 O5 S
電荷:0
化学式量:499.967 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.77-chloranyl-4-[(3-methoxyphenyl)amino]-~{N}-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.03InChI=1S/C24H22ClN3O5S/c1-28-22(24(29)27-34(30,31)18-9-7-16(32-2)8-10-18)14-19-21(12-11-20(25)23(19)28)26-15-5-4-6-17(13-15)33-3/h4-14,26H,1-3H3,(H,27,29)
InChIKeyInChI1.03JEHVWVLILUTLQN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)[S](=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C
SMILESCACTVS3.385COc1ccc(cc1)[S](=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC
SMILESOpenEye OEToolkits2.0.7Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC

222624

件を2024-07-17に公開中

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