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5HH

Summary
Name:N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide
Formula:C23 H26 N2 O2 S
Formal charge:0
Formula weight:394.53 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide
OpenEye OEToolkits1.9.2N-[[(3R)-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc2c(cc1)cc(cc2)S(=O)(=O)NCC3CCCN(C3)Cc4ccccc4
InChIInChI1.03InChI=1S/C23H26N2O2S/c26-28(27,23-13-12-21-10-4-5-11-22(21)15-23)24-16-20-9-6-14-25(18-20)17-19-7-2-1-3-8-19/h1-5,7-8,10-13,15,20,24H,6,9,14,16-18H2/t20-/m0/s1
InChIKeyInChI1.03LOOROLBHYLIWTF-FQEVSTJZSA-N
SMILES_CANONICALCACTVS3.385O=[S](=O)(NC[C@@H]1CCCN(C1)Cc2ccccc2)c3ccc4ccccc4c3
SMILESCACTVS3.385O=[S](=O)(NC[CH]1CCCN(C1)Cc2ccccc2)c3ccc4ccccc4c3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)CN2CCC[C@H](C2)CNS(=O)(=O)c3ccc4ccccc4c3
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)CN2CCCC(C2)CNS(=O)(=O)c3ccc4ccccc4c3

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PDB entries from 2024-07-17

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