B4D
Summary
| Name: | (3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
| Formula: | C11 H14 Cl N3 O4 S3 |
| Formal charge: | 0 |
| Formula weight: | 383.895 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
| OpenEye OEToolkits | 1.6.1 | (3S)-6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)CSC/C=C)N |
| SMILES_CANONICAL | CACTVS | 3.352 | N[S](=O)(=O)c1cc2c(N[C@H](CSCC=C)N[S]2(=O)=O)cc1Cl |
| SMILES | CACTVS | 3.352 | N[S](=O)(=O)c1cc2c(N[CH](CSCC=C)N[S]2(=O)=O)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | C=CCSCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | VGLGVJVUHYTIIU-NSHDSACASA-N |
