805
Summary
| Name: | 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide |
| Formula: | C16 H15 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 345.373 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-methylphenyl)sulfonyl-~{N}-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15N3O4S/c1-12-2-4-14(5-3-12)24(21,22)19-8-6-13(11-19)16(20)18-10-15-17-7-9-23-15/h2-9,11H,10H2,1H3,(H,18,20) |
| InChIKey | InChI | 1.06 | ZNWZRQDRLJHYOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)n2ccc(c2)C(=O)NCc3occn3 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)n2ccc(c2)C(=O)NCc3occn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C(=O)NCc3ncco3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C(=O)NCc3ncco3 |
