9Y5
Summary
| Name: | 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide |
| Formula: | C16 H12 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 345.803 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12ClN3O2S/c1-10-15-16(20(18-10)12-6-4-5-11(17)9-12)13-7-2-3-8-14(13)23(21,22)19-15/h2-9,19H,1H3 |
| InChIKey | InChI | 1.03 | PGEMRAFLCFQXOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn(c2cccc(Cl)c2)c3c1N[S](=O)(=O)c4ccccc34 |
| SMILES | CACTVS | 3.385 | Cc1nn(c2cccc(Cl)c2)c3c1N[S](=O)(=O)c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2 |
