M5X
Summary
| Name: | (3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide |
| Formula: | C8 H8 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 228.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-oxidanyl-2-oxidanylidene-1,3-dihydroindole-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1cc2c(cc1)NC(=O)C2O |
| InChI | InChI | 1.06 | InChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | KJMQFACDQCJBET-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2NC(=O)[C@@H](O)c2c1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2NC(=O)[CH](O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1S(=O)(=O)N)[C@@H](C(=O)N2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1S(=O)(=O)N)C(C(=O)N2)O |
