ZUJ
Summary
| Name: | 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide |
| Synonyms: | coumarin benzene sulfonamide SG1-51 |
| Formula: | C17 H16 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 376.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[(2-oxidanylidene-3,4-dihydrochromen-7-yl)oxy]-~{N}-(4-sulfamoylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23) |
| InChIKey | InChI | 1.06 | VZWHIVSDDFPQBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)COc2ccc3CCC(=O)Oc3c2)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)COc2ccc3CCC(=O)Oc3c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)COc2ccc3c(c2)OC(=O)CC3)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)COc2ccc3c(c2)OC(=O)CC3)S(=O)(=O)N |
