LYQ
Summary
| Name: | (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide |
| Formula: | C18 H19 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 378.873 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m0/s1 |
| InChIKey | InChI | 1.03 | BCOLVIOJRBHVNW-JCGVRSQUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2N[C@@H]([C@@H]3CCC[C@@H]3c2c1)c4ccc(O)cc4Cl |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1O)Cl)C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N |
