A1C1H
Summary
| Name: | 1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid |
| Formula: | C11 H16 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 272.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(c1cc(C(=O)O)n(C)c1)N1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2O4S/c1-12-8-9(7-10(12)11(14)15)18(16,17)13-5-3-2-4-6-13/h7-8H,2-6H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.06 | KSRZOKMBEVEESD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cc1C(O)=O)[S](=O)(=O)N2CCCCC2 |
| SMILES | CACTVS | 3.385 | Cn1cc(cc1C(O)=O)[S](=O)(=O)N2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(cc1C(=O)O)S(=O)(=O)N2CCCCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(cc1C(=O)O)S(=O)(=O)N2CCCCC2 |
