| PDB CCD ID: | 420 |
| Number of entries in BioLiP: | 9 |
| Chemical formula: | C16 H20 I N3 O3 S |
| InChI: | InChI=1S/C16H20IN3O3S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)19-10-9-18-16(21)11-17/h3-8,19H,9-11H2,1-2H3,(H,18,21) |
| InChIKey: | QDHGMMDEGVINBU-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCNC(=O)CI | | ACDLabs 10.04 | ICC(=O)NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C | | OpenEye OEToolkits 1.6.1 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI |
|
| Name: | N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE |
| ZINC: | ZINC000058633599 |
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