![N-[3-(1-adamantylcarbamoyl)phenyl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide](/api/spectrum/GBhwizCbjew/structure.png?h=300&w=458 "N-[3-(1-adamantylcarbamoyl)phenyl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide")
| SpectraBase Compound ID | FYC1POf68BE |
|---|---|
| InChI | InChI=1S/C28H33N3O4S/c32-26(30-28-16-19-12-20(17-28)14-21(13-19)18-28)22-6-4-7-23(15-22)29-27(33)25-10-5-11-31(25)36(34,35)24-8-2-1-3-9-24/h1-4,6-9,15,19-21,25H,5,10-14,16-18H2,(H,29,33)(H,30,32)/t19-,20+,21-,25?,28- |
| InChIKey | NYKVBJLXCAHCRH-NVAGXVRESA-N |
| Mol Weight | 507.6 g/mol |
| Molecular Formula | C28H33N3O4S |
| Exact Mass | 507.219178 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GBhwizCbjew |
|---|---|
| Name | N-[3-(1-adamantylcarbamoyl)phenyl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide |
| Alternate Name(s) | N-[3-(1-adamantylcarbamoyl)phenyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide N-[3-(1-adamantylcarbamoyl)phenyl]-1-besyl-pyrrolidine-2-carboxamide N-[3-[(1-adamantylamino)-oxomethyl]phenyl]-1-(benzenesulfonyl)-2-pyrrolidinecarboxamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H33N3O4S |
| InChI | InChI=1S/C28H33N3O4S/c32-26(30-28-16-19-12-20(17-28)14-21(13-19)18-28)22-6-4-7-23(15-22)29-27(33)25-10-5-11-31(25)36(34,35)24-8-2-1-3-9-24/h1-4,6-9,15,19-21,25H,5,10-14,16-18H2,(H,29,33)(H,30,32)/t19-,20+,21-,25?,28- |
| InChIKey | NYKVBJLXCAHCRH-NVAGXVRESA-N |
| Molecular Weight | 507.649 g/mol |
| SMILES | N(C(c1cc(NC(C2N(S(c3ccccc3)(=O)=O)CCC2)=O)ccc1)=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| SPLASH | splash10-03di-4390000000-49a97fd59dc32d2a168f |
| Wiley ID | 1512441 |