A1J8Z
Summary
| Name: | (1~{S})-6,7-dimethoxy-1-phenyl-3,4-dihydro-1~{H}-isoquinoline-2-sulfonamide |
| Formula: | C17 H20 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 348.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-6,7-dimethoxy-1-phenyl-3,4-dihydro-1~{H}-isoquinoline-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H20N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,18,20,21)/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | FDWMSLIDFLYXTO-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN([C@@H](c3ccccc3)c2cc1OC)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COc1cc2CCN([CH](c3ccccc3)c2cc1OC)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)[C@@H](N(CC2)S(=O)(=O)N)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)C(N(CC2)S(=O)(=O)N)c3ccccc3 |
