F83
Summary
| Name: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE |
| Synonyms: | 3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE |
| Formula: | C16 H17 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 352.836 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
| OpenEye OEToolkits | 1.5.0 | (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.341 | OC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO)Cl |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | YTBGBMPLINFTBQ-OAHLLOKOSA-N |
