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1W7

Summary
Name:N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
Formula:C18 H20 N2 O3 S
Formal charge:0
Formula weight:344.428 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
OpenEye OEToolkits1.7.6N-(1-methyl-2-oxidanylidene-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2C)Cc3ccc(cc3)C
InChIInChI1.03InChI=1S/C18H20N2O3S/c1-13-3-5-14(6-4-13)12-24(22,23)19-16-8-9-17-15(11-16)7-10-18(21)20(17)2/h3-6,8-9,11,19H,7,10,12H2,1-2H3
InChIKeyInChI1.03JKRLUDGFPXLBQG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc3)ccc12
SMILESCACTVS3.385CN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc3)ccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C

222926

数据于2024-07-24公开中

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