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CHEBI:47747 - 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one
| Formula | C26H29ClN4O4S |
| Net Charge | 0 |
| Average Mass | 529.062 |
| Monoisotopic Mass | 528.15980 |
| SMILES | [H]OC([H])([H])C1(C([H])([H])N2C(=O)C([H])([H])N(S(=O)(=O)c3c([H])c([H])c4c([H])c(Cl)c([H])c([H])c4c3[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])N(c2c([H])c([H])nc([H])c2[H])C([H])([H])C1([H])[H] |
| InChI | InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(33)17-31)18-26(19-32)7-11-29(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,32H,7-8,11-14,17-19H2 |
| InChIKey | ZRGAURKJCJQBQS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one (CHEBI:47747) is a N-sulfonylpiperazine (CHEBI:46918) |
| 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one (CHEBI:47747) is a naphthalenes (CHEBI:25477) |
| 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one (CHEBI:47747) is a organochlorine compound (CHEBI:36683) |
| 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one (CHEBI:47747) is a piperazinone (CHEBI:46846) |
| 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one (CHEBI:47747) is a pyridylpiperidine (CHEBI:48634) |
| Synonyms | Source |
|---|---|
| 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one | PDBeChem |
| 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| XMF | PDBeChem |