K4B

4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide

Created:2019-04-22
Last modified:  2020-05-13

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count45
Aromatic Bond Count12
2D diagram of K4B

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Chemical Component Summary

Name4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide
Systematic Name (OpenEye OEToolkits)4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide
FormulaC17 H19 N3 O3 S
Molecular Weight345.416
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(C2)Cc3ccccc3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N
Canonical SMILESCACTVS3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(C2)Cc3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C17H19N3O3S/c18-24(22,23)16-8-6-15(7-9-16)17(21)20-11-10-19(13-20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,18,22,23)
InChIKeyInChI1.03 ZWNARYKSNTWUOM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146035556