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4K9

Summary
Name:4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide
Formula:C16 H16 N2 O3 S
Formal charge:0
Formula weight:316.375 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide
OpenEye OEToolkits1.9.24-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cccc3c1N(C(c2ccc(S(=O)(=O)N)cc2)=O)CCC3
InChIInChI1.03InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)
InChIKeyInChI1.03UVLCSZMJFKEEJN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCCc3ccccc23
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCCc3ccccc23
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N

222926

数据于2024-07-24公开中

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