| PDB CCD ID: | 4KC |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H16 N2 O3 S |
| InChI: | InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21) |
| InChIKey: | FNPLXMFGUKXYIB-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N | | CACTVS 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3ccccc3C2 | | ACDLabs 12.01 | c1cccc3c1CN(C(c2ccc(cc2)S(=O)(=O)N)=O)CC3 |
|
| Name: | 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide |
| ChEMBL: | CHEMBL3613780 |
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