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IZT

Summary
Name:N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide
Formula:C22 H22 N4 O4 S
Formal charge:0
Formula weight:438.499 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide
OpenEye OEToolkits2.0.7~{N}-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)N(C)C(=O)N2C)c1cccc2ccccc21
InChIInChI1.03InChI=1S/C22H22N4O4S/c1-24-19-12-11-16(13-20(19)25(2)22(24)28)23-21(27)14-26(31(3,29)30)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,14H2,1-3H3,(H,23,27)
InChIKeyInChI1.03OQWBGGOCJAGEOY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N(C)c2cc(NC(=O)CN(c3cccc4ccccc34)[S](C)(=O)=O)ccc12
SMILESCACTVS3.385CN1C(=O)N(C)c2cc(NC(=O)CN(c3cccc4ccccc34)[S](C)(=O)=O)ccc12
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1c2ccc(cc2N(C1=O)C)NC(=O)CN(c3cccc4c3cccc4)S(=O)(=O)C
SMILESOpenEye OEToolkits2.0.7CN1c2ccc(cc2N(C1=O)C)NC(=O)CN(c3cccc4c3cccc4)S(=O)(=O)C

222415

數據於2024-07-10公開中

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