| PDB CCD ID: | NS3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H28 N4 O4 S2 |
| InChI: | InChI=1S/C18H28N4O4S2/c1-13-11-15-17(27(23,24)20-18(19-15)14-5-3-4-6-14)12-16(13)28(25,26)22-9-7-21(2)8-10-22/h11-12,14,18-20H,3-10H2,1-2H3/t18-/m0/s1 |
| InChIKey: | CUMKMTBOHBENJI-SFHVURJKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CN1CCN(CC1)[S](=O)(=O)c2cc3c(N[C@@H](N[S]3(=O)=O)C4CCCC4)cc2C | | ACDLabs 10.04 | O=S(=O)(c1c(cc2c(c1)S(=O)(=O)NC(N2)C3CCCC3)C)N4CCN(C)CC4 | | OpenEye OEToolkits 1.5.0 | Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](N2)C4CCCC4 | | CACTVS 3.341 | CN1CCN(CC1)[S](=O)(=O)c2cc3c(N[CH](N[S]3(=O)=O)C4CCCC4)cc2C | | OpenEye OEToolkits 1.5.0 | Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)NC(N2)C4CCCC4 |
|
| Name: | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| DrugBank: | DB08303 |
| ZINC: | ZINC000053683061 |
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