VBI
Summary
Name: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide |
Formula: | C10 H13 Cl N2 O3 S |
Formal charge: | 0 |
Formula weight: | 276.74 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide |
OpenEye OEToolkits | 2.0.7 | 2-[(3-chlorophenyl)-methylsulfonyl-amino]-~{N}-methyl-ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O |
InChI | InChI | 1.06 | InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14) |
InChIKey | InChI | 1.06 | OERNFHOHISKBJE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CN(c1cccc(Cl)c1)[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | CNC(=O)CN(c1cccc(Cl)c1)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN(c1cccc(c1)Cl)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN(c1cccc(c1)Cl)S(=O)(=O)C |