3-{[(1R,9S)-5-{[(4-Chlorophenyl)sulfonyl]amino}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzoic acid

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Systematic / IUPAC Name: 3-[(1R,9S)-5-[(4-Chlorophenyl)sulfonylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzoic acid

ID: Reference13165

Other Names: NAT11-275180

Formula: C25H22ClN3O6S

Spectral Data

3-{[(1R,9S)-5-{[(4-Chlorophenyl)sulfonyl]amino}-6-oxo-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 910
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/31/2024 11:30:10 AM
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Identificators

InChI InChI=1S/C25H22ClN3O6S/c26-19-4-6-20(7-5-19)36(34,35)27-21-8-9-22-18-10-15(13-29(22)24(21)31)12-28(14-18)23(30)16-2-1-3-17(11-16)25(32)33/h1-9,11,15,18,27H,10,12-14H2,(H,32,33)/t15-,18+/m0/s1
InChI Key LYWMADVQTLQFGB-MAUKXSAKSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NS(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC=C5)C(=O)O
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Other Names NAT11-275180

In Other Databases

ChemSpider 5459872
PubChem 7113917