45I
Summary
| Name: | 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID |
| Formula: | C15 H16 N2 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 384.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(2-phenylethylsulfamoyl)-4-sulfamoyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16N2O6S2/c16-24(20,21)12-6-7-13(15(18)19)14(10-12)25(22,23)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)(H2,16,20,21) |
| InChIKey | InChI | 1.03 | UPBRYTJLOYELEW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(C(O)=O)c(c1)[S](=O)(=O)NCCc2ccccc2 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(C(O)=O)c(c1)[S](=O)(=O)NCCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N |
