LWT
Summary
| Name: | 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
| Formula: | C18 H19 Cl N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 362.874 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-chlorophenyl)-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/C18H19ClN2O2S/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(24(20,22)23)8-9-17(15)21-18/h1-2,4,7-10,12-13,18,21H,3,5-6H2,(H2,20,22,23)/t12-,13+,18-/m0/s1 |
| InChIKey | InChI | 1.03 | OHOLRUMFOHOXGB-JCGVRSQUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2N[C@@H]([C@@H]3CCC[C@@H]3c2c1)c4ccccc4Cl |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccccc4Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N)Cl |
