| PDB CCD ID: | F83 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C16 H17 Cl N2 O3 S |
| InChI: | InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1 |
| InChIKey: | YTBGBMPLINFTBQ-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO)Cl | | ACDLabs 10.04 | Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl | | CACTVS 3.341 | OC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3 |
|
| Name: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE;
3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE |
| DrugBank: | DB07747 |
| ZINC: | ZINC000013607010 |
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