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ZJ1

Summary
Name:(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide
Formula:C25 H35 N3 O3 S
Formal charge:0
Formula weight:457.629 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide
OpenEye OEToolkits2.0.7(2~{R})-2-[(4-~{tert}-butylphenyl)-ethylsulfonyl-amino]-~{N}-cyclohexyl-2-pyridin-3-yl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)(C)c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S(=O)(=O)CC
InChIInChI1.03InChI=1S/C25H35N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h9-10,13-18,21,23H,5-8,11-12H2,1-4H3,(H,27,29)/t23-/m1/s1
InChIKeyInChI1.03ZCSLMPKXGXMPHB-HSZRJFAPSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)N([C@@H](C(=O)NC1CCCCC1)c2cccnc2)c3ccc(cc3)C(C)(C)C
SMILESCACTVS3.385CC[S](=O)(=O)N([CH](C(=O)NC1CCCCC1)c2cccnc2)c3ccc(cc3)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCCCC3
SMILESOpenEye OEToolkits2.0.7CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC3CCCCC3

218853

PDB entries from 2024-04-24

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