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Details

Stereochemistry ACHIRAL
Molecular Formula C25H26N2O6S
Molecular Weight 482.5508
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-(((4-(1,1-DIMETHYL-2-OXOETHYL)BENZYL)(PYRIDIN-3-YLSULFONYL)AMINO)METHYL)PHENOXY)ACETIC ACID

SMILES

CC(C)(C=O)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3

InChI

InChIKey=JEUHKODDXNRYIK-UHFFFAOYSA-N
InChI=1S/C25H26N2O6S/c1-25(2,18-28)21-10-8-19(9-11-21)15-27(34(31,32)23-7-4-12-26-14-23)16-20-5-3-6-22(13-20)33-17-24(29)30/h3-14,18H,15-17H2,1-2H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C25H26N2O6S
Molecular Weight 482.5508
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 10:32:51 UTC 2021
Edited
by admin
on Sat Jun 26 10:32:51 UTC 2021
Record UNII
4EPW47C3HA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-(((4-(1,1-DIMETHYL-2-OXOETHYL)BENZYL)(PYRIDIN-3-YLSULFONYL)AMINO)METHYL)PHENOXY)ACETIC ACID
Systematic Name English
ACETIC ACID, 2-(3-((((4-(1,1-DIMETHYL-2-OXOETHYL)PHENYL)METHYL)(3-PYRIDINYLSULFONYL)AMINO)METHYL)PHENOXY)-
Systematic Name English
CP-533,536 METABOLITE M24
Common Name English
2-(3-((((4-(1,1-DIMETHYL-2-OXOETHYL)PHENYL)METHYL)(3-PYRIDINYLSULFONYL)AMINO)METHYL)PHENOXY)ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
4EPW47C3HA
Created by admin on Sat Jun 26 10:32:51 UTC 2021 , Edited by admin on Sat Jun 26 10:32:51 UTC 2021
PRIMARY
CAS
574759-39-0
Created by admin on Sat Jun 26 10:32:51 UTC 2021 , Edited by admin on Sat Jun 26 10:32:51 UTC 2021
PRIMARY
PUBCHEM
10128044
Created by admin on Sat Jun 26 10:32:51 UTC 2021 , Edited by admin on Sat Jun 26 10:32:51 UTC 2021
PRIMARY
Related Record Type Details
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