A1EA4
Summary
| Name: | (3~{R})-3-[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]-6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2~{H}-1$l^{6},2,4-benzothiadiazine-7-sulfonamide |
| Formula: | C14 H16 Cl N3 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 389.878 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]-6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2~{H}-1$l^{6},2,4-benzothiadiazine-7-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | BOCUKUHCLICSIY-RSVXVWGFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1cc2c(N[C@H](N[S]2(=O)=O)[C@H]3C[C@@H]4C[C@H]3C=C4)cc1Cl |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)[CH]3C[CH]4C[CH]3C=C4)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C3CC4CC3C=C4 |
