GIU
Summary
| Name: | ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide |
| Formula: | C13 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 277.342 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | DPOHKNPOBZVTBK-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(N[C@H]1CCNC1)c2cccc3cnccc23 |
| SMILES | CACTVS | 3.385 | O=[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2c(c1)S(=O)(=O)N[C@H]3CCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2c(c1)S(=O)(=O)NC3CCNC3 |
