LTK
Summary
| Name: | ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide |
| Formula: | C16 H15 Cl N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 366.886 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15ClN2O2S2/c1-10-14-8-12(17)5-6-15(14)22-16(10)23(20,21)19-13-4-2-3-11(7-13)9-18/h2-8,19H,9,18H2,1H3 |
| InChIKey | InChI | 1.03 | OMVVAHZLDYMIPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c2cc(Cl)ccc2sc1[S](=O)(=O)Nc3cccc(CN)c3 |
| SMILES | CACTVS | 3.385 | Cc1c2cc(Cl)ccc2sc1[S](=O)(=O)Nc3cccc(CN)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl |
