A1L98
Summary
| Name: | 4-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid |
| Formula: | C30 H32 N2 O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 612.714 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H32N2O8S2/c1-3-39-22-12-16-24(17-13-22)41(35,36)31-28-20-21(8-7-11-29(33)34)30(27-10-6-5-9-26(27)28)32-42(37,38)25-18-14-23(15-19-25)40-4-2/h5-6,9-10,12-20,31-32H,3-4,7-8,11H2,1-2H3,(H,33,34) |
| InChIKey | InChI | 1.06 | KVAYHZPJAGMVIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CCCC(O)=O)c(N[S](=O)(=O)c3ccc(OCC)cc3)c4ccccc24 |
| SMILES | CACTVS | 3.385 | CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CCCC(O)=O)c(N[S](=O)(=O)c3ccc(OCC)cc3)c4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CCCC(=O)O |
