H6E
Summary
Name: | 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane |
Formula: | C15 H27 N O3 S |
Formal charge: | 0 |
Formula weight: | 301.445 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H27NO3S/c17-20(18,12-14-5-4-10-19-11-14)16-9-8-15(13-16)6-2-1-3-7-15/h14H,1-13H2/t14-/m1/s1 |
InChIKey | InChI | 1.03 | IRCQTRJXJMLOAH-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(C[C@@H]1CCCOC1)N2CCC3(CCCCC3)C2 |
SMILES | CACTVS | 3.385 | O=[S](=O)(C[CH]1CCCOC1)N2CCC3(CCCCC3)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3 |
SMILES | OpenEye OEToolkits | 2.0.6 | C1CCC2(CC1)CCN(C2)S(=O)(=O)CC3CCCOC3 |