A1AY4
Summary
| Name: | 3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-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 | 3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1ccc2c(c1)OC(=O)N2C |
| InChI | InChI | 1.06 | InChI=1S/C8H8N2O4S/c1-10-6-3-2-5(15(9,12)13)4-7(6)14-8(10)11/h2-4H,1H3,(H2,9,12,13) |
| InChIKey | InChI | 1.06 | WVYDXZCZMWDPOV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)Oc2cc(ccc12)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)Oc2cc(ccc12)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2OC1=O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2OC1=O)S(=O)(=O)N |
