TMJ
Summary
| Name: | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE |
| Synonyms: | 7-(N-4-CHLOROPHENYL-AMINSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE |
| Formula: | C15 H15 Cl N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 322.81 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
| OpenEye OEToolkits | 1.5.0 | N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(N[S](=O)(=O)c2ccc3CCNCc3c2)cc1 |
| SMILES | CACTVS | 3.341 | Clc1ccc(N[S](=O)(=O)c2ccc3CCNCc3c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C15H15ClN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2 |
| InChIKey | InChI | 1.03 | UVSIFVBCHJEYJP-UHFFFAOYSA-N |
