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5C3

Summary
Name:4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
Formula:C14 H20 N2 O3 S
Formal charge:0
Formula weight:296.385 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01trans-4-(aminomethyl)-N-(phenylsulfonyl)cyclohexanecarboxamide
OpenEye OEToolkits1.7.64-(aminomethyl)-N-(phenylsulfonyl)cyclohexane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccccc1)NC(=O)C2CCC(CN)CC2
InChIInChI1.03InChI=1S/C14H20N2O3S/c15-10-11-6-8-12(9-7-11)14(17)16-20(18,19)13-4-2-1-3-5-13/h1-5,11-12H,6-10,15H2,(H,16,17)/t11-,12-
InChIKeyInChI1.03BCEUUNKKXUMFST-HAQNSBGRSA-N
SMILES_CANONICALCACTVS3.385NC[C@H]1CC[C@@H](CC1)C(=O)N[S](=O)(=O)c2ccccc2
SMILESCACTVS3.385NC[CH]1CC[CH](CC1)C(=O)N[S](=O)(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN

223532

數據於2024-08-07公開中

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