| PDB CCD ID: | FTS |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H16 F4 N2 O2 S |
| InChI: | 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: | BBUDQLKRZPRPFD-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | FC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)NCCC(F)(F)F | | OpenEye OEToolkits 1.7.6 | c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CNC(C2)CF | | ACDLabs 12.01 | c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(F)(F)F | | OpenEye OEToolkits 1.7.6 | c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF | | CACTVS 3.385 | FC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)NCCC(F)(F)F |
|
| Name: | (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE;
3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE |
| ChEMBL: | CHEMBL177101 |
| DrugBank: | DB07798 |
| ZINC: | ZINC000013581899 |
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