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CHEBI:43863 - N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
| Formula | C30H36N4O5S2 |
| Net Charge | 0 |
| Average Mass | 596.775 |
| Monoisotopic Mass | 596.21271 |
| SMILES | [H]c1c([H])c([H])c(SC([H])([H])C(N([H])c2c([H])c([H])c(S(=O)(=O)N([H])C(=O)c3c([H])c([H])c(N4C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C4([H])[H])c([H])c3[H])c([H])c2[N+](=O)[O-])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H] |
| InChI | InChI=1S/C30H36N4O5S2/c1-29(2)16-18-33(19-17-29)23-12-10-22(11-13-23)28(35)32-41(38,39)25-14-15-26(27(20-25)34(36)37)31-30(3,4)21-40-24-8-6-5-7-9-24/h5-15,20,31H,16-19,21H2,1-4H3,(H,32,35) |
| InChIKey | FQHHQKOASLDQEQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide (CHEBI:43863) is a C-nitro compound (CHEBI:35716) |
| N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide (CHEBI:43863) is a benzamides (CHEBI:22702) |
| N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide (CHEBI:43863) is a piperidines (CHEBI:26151) |
| N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide (CHEBI:43863) is a sulfonamide (CHEBI:35358) |
| Synonyms | Source |
|---|---|
| N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide | PDBeChem |
| N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| LIU | PDBeChem |