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KR5

Summary
Name:4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide
Formula:C14 H18 N4 O3 S
Formal charge:0
Formula weight:322.383 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide
OpenEye OEToolkits1.7.64-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxidanylidene-propyl]amino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(n1nc(cc1C)C)CCNc2ccc(cc2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C14H18N4O3S/c1-10-9-11(2)18(17-10)14(19)7-8-16-12-3-5-13(6-4-12)22(15,20)21/h3-6,9,16H,7-8H2,1-2H3,(H2,15,20,21)
InChIKeyInChI1.03SQGUOOCGLKRFBU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(C)n(n1)C(=O)CCNc2ccc(cc2)[S](N)(=O)=O
SMILESCACTVS3.385Cc1cc(C)n(n1)C(=O)CCNc2ccc(cc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C
SMILESOpenEye OEToolkits1.7.6Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C

222415

数据于2024-07-10公开中

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