JFM
N-(2-phenylethyl)methanesulfonamide
Created: | 2018-09-10 |
Last modified: | 2018-10-10 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-(2-phenylethyl)methanesulfonamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(2-phenylethyl)methanesulfonamide |
Formula | C9 H13 N O2 S |
Molecular Weight | 199.27 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc(CCNS(C)(=O)=O)c1 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCCc1ccccc1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCCc1ccccc1 |
Canonical SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCCc1ccccc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCCc1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
InChIKey | InChI | 1.03 | JGDDFCYMSLNOGJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 118569 |