A1D60
Summary
| Name: | 4-[[2,6-bis(fluoranyl)-3-(oxan-4-yl)phenyl]carbonylamino]-~{N}-(1-ethylsulfonylpiperidin-4-yl)-1~{H}-pyrazole-5-carboxamide |
| Formula: | C23 H29 F2 N5 O5 S |
| Formal charge: | 0 |
| Formula weight: | 525.569 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[2,6-bis(fluoranyl)-3-(oxan-4-yl)phenyl]carbonylamino]-~{N}-(1-ethylsulfonylpiperidin-4-yl)-1~{H}-pyrazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H29F2N5O5S/c1-2-36(33,34)30-9-5-15(6-10-30)27-23(32)21-18(13-26-29-21)28-22(31)19-17(24)4-3-16(20(19)25)14-7-11-35-12-8-14/h3-4,13-15H,2,5-12H2,1H3,(H,26,29)(H,27,32)(H,28,31) |
| InChIKey | InChI | 1.06 | QAODBGDDFAAGSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)N1CCC(CC1)NC(=O)c2[nH]ncc2NC(=O)c3c(F)ccc(C4CCOCC4)c3F |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)N1CCC(CC1)NC(=O)c2[nH]ncc2NC(=O)c3c(F)ccc(C4CCOCC4)c3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)N1CCC(CC1)NC(=O)c2c(cn[nH]2)NC(=O)c3c(ccc(c3F)C4CCOCC4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)N1CCC(CC1)NC(=O)c2c(cn[nH]2)NC(=O)c3c(ccc(c3F)C4CCOCC4)F |
