SBN
Summary
| Name: | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE |
| Formula: | C15 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 286.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-6-[(3,5-dimethylphenyl)sulfonyl]benzonitrile |
| OpenEye OEToolkits | 1.5.0 | 2-amino-6-(3,5-dimethylphenyl)sulfonyl-benzonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc1c(cccc1N)S(=O)(=O)c2cc(cc(c2)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(C)cc(c1)[S](=O)(=O)c2cccc(N)c2C#N |
| SMILES | CACTVS | 3.341 | Cc1cc(C)cc(c1)[S](=O)(=O)c2cccc(N)c2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3 |
| InChIKey | InChI | 1.03 | SWGDXLAZBZDUBR-UHFFFAOYSA-N |
