A1CD4
Summary
| Name: | N-(cyclohexylsulfamoyl)-2-hydroxy-6-methoxy-4-[(1H-pyrazol-1-yl)methyl]benzene-1-carboximidamide |
| Formula: | C18 H25 N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 407.487 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(cyclohexylsulfamoyl)-2-hydroxy-6-methoxy-4-[(1H-pyrazol-1-yl)methyl]benzene-1-carboximidamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(cyclohexylsulfamoyl)-2-methoxy-6-oxidanyl-4-(pyrazol-1-ylmethyl)benzenecarboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(NC1CCCCC1)NC(=N)c1c(cc(Cn2cccn2)cc1O)OC |
| InChI | InChI | 1.06 | InChI=1S/C18H25N5O4S/c1-27-16-11-13(12-23-9-5-8-20-23)10-15(24)17(16)18(19)22-28(25,26)21-14-6-3-2-4-7-14/h5,8-11,14,21,24H,2-4,6-7,12H2,1H3,(H2,19,22) |
| InChIKey | InChI | 1.06 | QCCYJFVPLIJGIK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Cn2cccn2)cc(O)c1C(=N)N[S](=O)(=O)NC3CCCCC3 |
| SMILES | CACTVS | 3.385 | COc1cc(Cn2cccn2)cc(O)c1C(=N)N[S](=O)(=O)NC3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(\c1c(cc(cc1OC)Cn2cccn2)O)/NS(=O)(=O)NC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cc(cc(c1C(=N)NS(=O)(=O)NC2CCCCC2)O)Cn3cccn3 |
