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K1W

Summary
Name:4-[(2~{R})-2-(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 OEToolkits2.0.74-[(2~{R})-2-(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)21-11-10-20-13-16(21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
InChIKeyInChI1.03GRIQMCZUTORETQ-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[C@H]2Cc3ccccc3
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[CH]2Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N

218853

PDB entries from 2024-04-24

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