![3-piperidinecarboxamide, N-[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]-1-(phenylsulfonyl)-](/api/spectrum/AZ2xQ7dmGTV/structure.png?h=300&w=458 "3-piperidinecarboxamide, N-[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]-1-(phenylsulfonyl)-")
| SpectraBase Compound ID | AC60z072MX7 |
|---|---|
| InChI | InChI=1S/C23H29N3O4S/c1-17(2)18-10-12-20(13-11-18)25-22(27)15-24-23(28)19-7-6-14-26(16-19)31(29,30)21-8-4-3-5-9-21/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H,24,28)(H,25,27) |
| InChIKey | KAUNYUBSXBAJDQ-UHFFFAOYSA-N |
| Mol Weight | 443.56 g/mol |
| Molecular Formula | C23H29N3O4S |
| Exact Mass | 443.187878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZ2xQ7dmGTV |
|---|---|
| Name | 3-Piperidinecarboxamide, N-[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]-1-(phenylsulfonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 443.187877596 u |
| Formula | C23H29N3O4S |
| InChI | InChI=1S/C23H29N3O4S/c1-17(2)18-10-12-20(13-11-18)25-22(27)15-24-23(28)19-7-6-14-26(16-19)31(29,30)21-8-4-3-5-9-21/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H,24,28)(H,25,27) |
| InChIKey | KAUNYUBSXBAJDQ-UHFFFAOYSA-N |
| Molecular Weight | 443.562 g/mol |
| SMILES | N(C(C1CN(S(=O)(=O)C2=CC=CC=C2)CCC1)=O)CC(NC=1C=CC(=CC1)C(C)C)=O |