JKY
Summary
| Name: | N-[(4-chlorophenyl)methyl]methanesulfonamide |
| Formula: | C8 H10 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 219.688 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-chlorophenyl)methyl]methanesulfonamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-chlorophenyl)methyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)CNS(C)(=O)=O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3 |
| InChIKey | InChI | 1.03 | CRYRIYLKDDYXOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCc1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCc1ccc(cc1)Cl |
