A1J8Y
Summary
| Name: | (1~{S})-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-sulfonamide |
| Formula: | C17 H19 F N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 366.407 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19FN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | VGDQXHGPCZIYJG-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN([C@@H](c3ccc(F)cc3)c2cc1OC)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COc1cc2CCN([CH](c3ccc(F)cc3)c2cc1OC)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)[C@@H](N(CC2)S(=O)(=O)N)c3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)C(N(CC2)S(=O)(=O)N)c3ccc(cc3)F |
