A1IV9
Summary
| Name: | N-(4-{5-[(2-aminoethyl)sulfamoyl]thiophen-2-yl}pyridin-2-yl)cyclopropanecarboxamide |
| Synonyms: | ~{N}-[4-[5-(2-azanylethylsulfamoyl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide |
| Formula: | C15 H18 N4 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 366.458 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[5-(2-azanylethylsulfamoyl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H18N4O3S2/c16-6-8-18-24(21,22)14-4-3-12(23-14)11-5-7-17-13(9-11)19-15(20)10-1-2-10/h3-5,7,9-10,18H,1-2,6,8,16H2,(H,17,19,20) |
| InChIKey | InChI | 1.06 | HXWXPALSNDQTMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCN[S](=O)(=O)c1sc(cc1)c2ccnc(NC(=O)C3CC3)c2 |
| SMILES | CACTVS | 3.385 | NCCN[S](=O)(=O)c1sc(cc1)c2ccnc(NC(=O)C3CC3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1c2ccnc(c2)NC(=O)C3CC3)S(=O)(=O)NCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1c2ccnc(c2)NC(=O)C3CC3)S(=O)(=O)NCCN |
