FTS
Summary
| Name: | (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE |
| Synonyms: | 3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE |
| Formula: | C13 H16 F4 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 340.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
| OpenEye OEToolkits | 1.7.6 | (3R)-3-(fluoranylmethyl)-N-[3,3,3-tris(fluoranyl)propyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | BBUDQLKRZPRPFD-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)NCCC(F)(F)F |
| SMILES | CACTVS | 3.385 | FC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)NCCC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CNC(C2)CF |
