WNW
Summary
| Name: | 4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide |
| Formula: | C18 H24 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 348.46 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 1-(4-methylphenyl)sulfonyl-3-[(1~{R},2~{R},6~{R},7~{R},8~{R})-8-tricyclo[5.2.1.0^{2,6}]decanyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1CC2CC1C1CCCC21 |
| InChI | InChI | 1.06 | InChI=1S/C18H24N2O3S/c1-11-5-7-13(8-6-11)24(22,23)20-18(21)19-17-10-12-9-16(17)15-4-2-3-14(12)15/h5-8,12,14-17H,2-4,9-10H2,1H3,(H2,19,20,21)/t12-,14-,15-,16-,17-/m1/s1 |
| InChIKey | InChI | 1.06 | WZALWBDDQLUQBM-LMHBHQSJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)NC(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@@H]4CCC[C@H]34 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)NC(=O)N[CH]2C[CH]3C[CH]2[CH]4CCC[CH]34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]4[C@@H]3CCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CC3CC2C4C3CCC4 |
