![Benzoic acid, 2-[[[[[4-chloro-6-[3-(dimethylamino)phenoxy]-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester](/api/spectrum/80JMCcJPtpH/structure.png?h=300&w=458 "Benzoic acid, 2-[[[[[4-chloro-6-[3-(dimethylamino)phenoxy]-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester")
| SpectraBase Compound ID | 7Mpyr8okVoI |
|---|---|
| InChI | InChI=1S/C21H20ClN5O6S/c1-27(2)13-7-6-8-14(11-13)33-18-12-17(22)23-20(24-18)25-21(29)26-34(30,31)16-10-5-4-9-15(16)19(28)32-3/h4-12H,1-3H3,(H2,23,24,25,26,29) |
| InChIKey | BFUFCGQNWWONJT-UHFFFAOYSA-N |
| Mol Weight | 505.93 g/mol |
| Molecular Formula | C21H20ClN5O6S |
| Exact Mass | 505.082282 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 80JMCcJPtpH |
|---|---|
| Name | Benzoic acid, 2-[[[[[4-chloro-6-[3-(dimethylamino)phenoxy]-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester |
| CAS Registry Number | 130019-77-1 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H20ClN5O6S |
| InChI | InChI=1S/C21H20ClN5O6S/c1-27(2)13-7-6-8-14(11-13)33-18-12-17(22)23-20(24-18)25-21(29)26-34(30,31)16-10-5-4-9-15(16)19(28)32-3/h4-12H,1-3H3,(H2,23,24,25,26,29) |
| InChIKey | BFUFCGQNWWONJT-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |