| PDB CCD ID: | 48K |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H22 N4 O3 S |
| InChI: | InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,20-21H,11-12H2,1-2H3,(H,22,24)/b17-13- |
| InChIKey: | CZOHIJSWNBOVJE-LGMDPLHJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | CN(C)CCNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O | | CACTVS 3.370 | CN(C)CCN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1 | | CACTVS 3.370 | CN(C)CCN[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 | | OpenEye OEToolkits 1.7.2 | CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O | | ACDLabs 12.01 | O=S(=O)(NCCN(C)C)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O |
|
| Name: | N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide |
| ChEMBL: | CHEMBL1964248 |
| ZINC: | ZINC000013470494 |
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