SAR150640
3065
Reference
SAR150640 Structure
Systematic / IUPAC Name: Ethyl 4-(4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methylsulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate
ID: Reference3065
Other Names: Benzoic acid, 4-{4-[((2S)-2-hydroxy-3-{4-hydroxy-3-[(methylsulfonyl)amino]phenoxy}propyl)amino]cyclohexyl}-, ethyl ester
Formula: C25H34N2O7S
Spectral Data
SAR150640 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/30/2015 10:48:59 AM |
Identificators
| InChI | InChI=1S/C25H34N2O7S/c1-3-33-25(30)19-6-4-17(5-7-19)18-8-10-20(11-9-18)26-15-21(28)16-34-22-12-13-24(29)23(14-22)27-35(2,31)32/h4-7,12-14,18,20-21,26-29H,3,8-11,15-16H2,1-2H3/t18?,20?,21-/m0/s1 |
| InChI Key | WCPJDRQPTLGHOD-MNLRITNHSA-N |
| Canonical SMILES | CCOC(=O)C1=CC=C(C=C1)C2CCC(CC2)NCC(COC3=CC(=C(C=C3)O)NS(=O)(=O)C)O |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 4-{4-[((2S)-2-hydroxy-3-{4-hydroxy-3-[(methylsulfonyl)amino]phenoxy}propyl)amino]cyclohexyl}-, ethyl ester |