BQV
Summary
| Name: | N-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide |
| Formula: | C13 H13 N O3 S3 |
| Formal charge: | 0 |
| Formula weight: | 327.442 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-methylsulfonyl-3-(thiophen-2-ylsulfanylmethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(scc1)SCc2cccc(C(NS(C)(=O)=O)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO3S3/c1-20(16,17)14-13(15)11-5-2-4-10(8-11)9-19-12-6-3-7-18-12/h2-8H,9H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | VUNXNZBHBBHTIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NC(=O)c1cccc(CSc2sccc2)c1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NC(=O)c1cccc(CSc2sccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2 |
