K1W

4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

Created:2019-04-16
Last modified:  2020-05-13

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count48
Aromatic Bond Count12
2D diagram of K1W

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Chemical Component Summary

Name4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Systematic Name (OpenEye OEToolkits)4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
FormulaC18 H21 N3 O3 S
Molecular Weight359.443
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[CH]2Cc3ccccc3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N
Canonical SMILESCACTVS3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[C@H]2Cc3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 GRIQMCZUTORETQ-MRXNPFEDSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4168600
PubChem 145952794
ChEMBL CHEMBL4168600