| PDB CCD ID: | K45 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H23 N3 O3 S |
| InChI: | InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m0/s1 |
| InChIKey: | NNDPMPAUZZKJMK-KRWDZBQOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O | | CACTVS 3.385 | CN1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O | | OpenEye OEToolkits 2.0.7 | CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | CN1CCN(CC1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N |
|
| Name: | 4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide |
| ChEMBL: | CHEMBL4159634 |
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