ZXT
Summary
| Name: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide |
| Formula: | C17 H22 N4 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 394.512 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22) |
| InChIKey | InChI | 1.06 | QPKGRLIYJGBKJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3 |
| SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(s1)NC(=O)c2cc(ccc2N3CCCC3)S(=O)(=O)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(s1)NC(=O)c2cc(ccc2N3CCCC3)S(=O)(=O)N(C)C |
