| PDB CCD ID: | 0O7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H17 N3 O2 S |
| InChI: | InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) |
| InChIKey: | ISXAVIPPPMJTPN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=S2(=O)c1cnnc1c4c(N2C)ccc(c3ccc(cc3)CC)c4 | | CACTVS 3.370 | CCc1ccc(cc1)c2ccc3N(C)[S](=O)(=O)c4c[nH]nc4c3c2 | | OpenEye OEToolkits 1.7.6 | CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C |
|
| Name: | 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide |
| ChEMBL: | CHEMBL2333445 |
| ZINC: | ZINC000095591813 |
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