| PDB CCD ID: | 0T0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H18 N2 O3 S |
| InChI: | InChI=1S/C17H18N2O3S/c1-18-17(20)14-7-4-8-16(11-14)23(21,22)19-10-9-13-5-2-3-6-15(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20) |
| InChIKey: | PBBCJGRZQLBCCD-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 | | CACTVS 3.370 | CNC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2 | | ACDLabs 12.01 | O=C(NC)c1cc(ccc1)S(=O)(=O)N3Cc2c(cccc2)CC3 |
|
| Name: | 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide |
| ChEMBL: | CHEMBL2172072 |
umich.edu