| PDB CCD ID: | P7D |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C16 H19 N3 O4 S |
| InChI: | InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+ |
| InChIKey: | FECGNJPYVFEKOD-VMPITWQZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO | | OpenEye OEToolkits 2.0.7 | CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C=CC(=O)NO | | CACTVS 3.385 | CN(C)Cc1ccc(cc1)[S](=O)(=O)n2ccc(C=CC(=O)NO)c2 | | CACTVS 3.385 | CN(C)Cc1ccc(cc1)[S](=O)(=O)n2ccc(\C=C\C(=O)NO)c2 | | ACDLabs 12.01 | c1cc(ccc1CN(C)C)S(n2ccc(\C=C\C(=O)NO)c2)(=O)=O |
|
| Name: | Resminostat;
(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide |
| ChEMBL: | CHEMBL4296717 |
| DrugBank: | DB12392 |
| ZINC: | ZINC000013983495 |
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