P2M
Summary
Name: | N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide |
Formula: | C16 H14 N2 O2 S |
Formal charge: | 0 |
Formula weight: | 298.36 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide |
OpenEye OEToolkits | 1.7.0 | N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NCc1ncccc1)c3c2ccccc2ccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | O=[S](=O)(NCc1ccccn1)c2cccc3ccccc23 |
SMILES | CACTVS | 3.370 | O=[S](=O)(NCc1ccccn1)c2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3 |
InChI | InChI | 1.03 | InChI=1S/C16H14N2O2S/c19-21(20,18-12-14-8-3-4-11-17-14)16-10-5-7-13-6-1-2-9-15(13)16/h1-11,18H,12H2 |
InChIKey | InChI | 1.03 | LYUIYUXDRYTIOE-UHFFFAOYSA-N |