K4H

4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

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

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count51
Aromatic Bond Count12
2D diagram of K4H

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Chemical Component Summary

Name4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide
FormulaC19 H23 N3 O3 S
Molecular Weight373.469
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCCN(CC2)Cc3ccccc3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N
Canonical SMILESCACTVS3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCCN(CC2)Cc3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C19H23N3O3S/c20-26(24,25)18-9-7-17(8-10-18)19(23)22-12-4-11-21(13-14-22)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H2,20,24,25)
InChIKeyInChI1.03 MMCUYRALLKKMDB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146035555