3-({(1R,9S)-6-Oxo-5-[(phenylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}carbonyl)benzoic acid
12988
Reference
3-({(1R,9S)-6-Oxo-5-[(phenylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}carbonyl)benzoic acid Structure
Systematic / IUPAC Name: 3-[(1R,9S)-5-(Benzenesulfonamido)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzoic acid
ID: Reference12988
Other Names: NAT11-275183
Formula: C25H23N3O6S
Spectral Data
3-({(1R,9S)-6-Oxo-5-[(phenylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}carbonyl)benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1484 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/30/2024 5:41:42 PM |
Identificators
| InChI | InChI=1S/C25H23N3O6S/c29-23(17-5-4-6-18(12-17)25(31)32)27-13-16-11-19(15-27)22-10-9-21(24(30)28(22)14-16)26-35(33,34)20-7-2-1-3-8-20/h1-10,12,16,19,26H,11,13-15H2,(H,31,32)/t16-,19+/m0/s1 |
| InChI Key | KUZNTPWLNQVYTG-QFBILLFUSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NS(=O)(=O)C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT11-275183 |