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A2O

Summary
Name:N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide
Formula:C19 H22 N2 O3 S
Formal charge:0
Formula weight:358.455 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CCC)Cc3ccccc3
InChIInChI1.03InChI=1S/C19H22N2O3S/c1-2-12-21-18-10-9-17(13-16(18)8-11-19(21)22)20-25(23,24)14-15-6-4-3-5-7-15/h3-7,9-10,13,20H,2,8,11-12,14H2,1H3
InChIKeyInChI1.03WJJPXAGBDPXKEP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccccc3)ccc12
SMILESCACTVS3.385CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccccc3)ccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3
SMILESOpenEye OEToolkits1.7.6CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3

223532

數據於2024-08-07公開中

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