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I23

Summary
Name:N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
Formula:C22 H34 N2 O3 S
Formal charge:0
Formula weight:406.582 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
OpenEye OEToolkits1.7.6N-cycloheptyl-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1c(cc(cc1C)C)C)N3CCC(C(=O)NC2CCCCCC2)CC3
InChIInChI1.03InChI=1S/C22H34N2O3S/c1-16-14-17(2)21(18(3)15-16)28(26,27)24-12-10-19(11-13-24)22(25)23-20-8-6-4-5-7-9-20/h14-15,19-20H,4-13H2,1-3H3,(H,23,25)
InChIKeyInChI1.03GTZJATJFRQCZIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1cc(C)c(c(C)c1)[S](=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3
SMILESCACTVS3.370Cc1cc(C)c(c(C)c1)[S](=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C
SMILESOpenEye OEToolkits1.7.6Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C

223532

PDB entries from 2024-08-07

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