EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H18N2O4S3 |
| Net Charge | 0 |
| Average Mass | 422.553 |
| Monoisotopic Mass | 422.04287 |
| SMILES | O=C(OCc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1 |
| InChI | InChI=1S/C18H18N2O4S3/c21-18(24-12-16-19-14-4-1-2-5-15(14)26-16)13-7-9-20(10-8-13)27(22,23)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2 |
| InChIKey | CPHJAJTTZNNUSO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester (CHEBI:114992) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26454 | LINCS |