| PDB CCD ID: | 4MD |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C14 H15 Cl N2 O4 S2 |
| InChI: | InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19) |
| InChIKey: | IPPUTOHDQOYDIL-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N | | CACTVS 3.341 | CN(Cc1ccc(Cl)cc1)[S](=O)(=O)c2ccc(cc2)[S](N)(=O)=O | | ACDLabs 10.04 | Clc1ccc(cc1)CN(C)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N | | OpenEye OEToolkits 1.5.0 | CN(Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N |
|
| Name: | N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide |
| DrugBank: | DB07115 |
| ZINC: | ZINC000009051936 |
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