F21
Summary
| Name: | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE |
| Synonyms: | 3-FLUOROMETHYL 7-THIOMORPHOLINOSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE |
| Formula: | C14 H19 F N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 330.441 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-(fluoromethyl)-7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N1CCSCC1)c2ccc3c(c2)CNC(CF)C3 |
| SMILES_CANONICAL | CACTVS | 3.341 | FC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)N3CCSCC3 |
| SMILES | CACTVS | 3.341 | FC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)N3CCSCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1S(=O)(=O)N3CCSCC3)CNC(C2)CF |
| InChI | InChI | 1.03 | InChI=1S/C14H19FN2O2S2/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | SBUKSNPHYWXCDG-CYBMUJFWSA-N |
