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LMV

Summary
Name:(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
Formula:C24 H28 Cl2 N2 O4 S
Formal charge:0
Formula weight:511.461 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H28Cl2N2O4S/c1-15(2)14-33(30,31)27-24(29)17-6-9-22-21(10-17)28(12-16-4-3-5-16)13-23(32-22)19-8-7-18(25)11-20(19)26/h6-11,15-16,23H,3-5,12-14H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyInChI1.03UHSJMFUMFQAOOO-HSZRJFAPSA-N
SMILES_CANONICALCACTVS3.385CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[C@H](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl
SMILESCACTVS3.385CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4
SMILESOpenEye OEToolkits2.0.7CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(CC(O2)c3ccc(cc3Cl)Cl)CC4CCC4

222624

數據於2024-07-17公開中

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