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N19

Summary
Name:4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:C18 H21 N3 O3 S
Formal charge:0
Formula weight:359.443 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
InChIKeyInChI1.03PUFUKRGYJIGJDK-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[C@@H](C2)Cc3ccccc3
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CC2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N

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PDB entries from 2024-04-24

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