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CHEBI:40145 - 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid
| Formula | C25H24N2O7S3 |
| Net Charge | 0 |
| Average Mass | 560.675 |
| Monoisotopic Mass | 560.07456 |
| SMILES | [H]OC(=O)c1sc2c(sc3c([H])c(N([H])C4([H])C([H])([H])C([H])([H])N(S(=O)(=O)C([H])([H])c5c([H])c([H])c([H])c([H])c5[H])C([H])([H])C4([H])[H])c([H])c([H])c32)c1OC([H])([H])C(=O)O[H] |
| InChI | InChI=1S/C25H24N2O7S3/c28-20(29)13-34-21-23-22(36-24(21)25(30)31)18-7-6-17(12-19(18)35-23)26-16-8-10-27(11-9-16)37(32,33)14-15-4-2-1-3-5-15/h1-7,12,16,26H,8-11,13-14H2,(H,28,29)(H,30,31) |
| InChIKey | UEELPALQXUYKFT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid (CHEBI:40145) has functional parent acetic acid (CHEBI:15366) |
| 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid (CHEBI:40145) is a N-acylpiperidine (CHEBI:48591) |
| 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid (CHEBI:40145) is a aminopiperidine (CHEBI:48588) |
| 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid (CHEBI:40145) is a dicarboxylic acid (CHEBI:35692) |
| 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid (CHEBI:40145) is a thienobenzothiophene (CHEBI:48719) |
| Synonym | Source |
|---|---|
| 6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 598 | PDBeChem |