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Details

Stereochemistry ACHIRAL
Molecular Formula C25H22N2O6S
Molecular Weight 478.517
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 1-(4-METHYLPHENYL)SULFONYL-4-(4-PHENYLMETHOXYCARBONYL-1H-PYRROL-3-YL)PYRROLE-2-CARBOXYLATE

SMILES

COC(=O)C1=CC(=CN1S(=O)(=O)C2=CC=C(C)C=C2)C3=CNC=C3C(=O)OCC4=CC=CC=C4

InChI

InChIKey=QKVKUVRBAUWJGI-UHFFFAOYSA-N
InChI=1S/C25H22N2O6S/c1-17-8-10-20(11-9-17)34(30,31)27-15-19(12-23(27)25(29)32-2)21-13-26-14-22(21)24(28)33-16-18-6-4-3-5-7-18/h3-15,26H,16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C25H22N2O6S
Molecular Weight 478.517
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 Dec 16 12:36:53 GMT 2023
Edited
by admin
on Sat Dec 16 12:36:53 GMT 2023
Record UNII
WDO527BMU2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 1-(4-METHYLPHENYL)SULFONYL-4-(4-PHENYLMETHOXYCARBONYL-1H-PYRROL-3-YL)PYRROLE-2-CARBOXYLATE
Systematic Name English
NSC-679527
Code English
(3,3'-BI-1H-PYRROLE)-4,5'-DICARBOXYLIC ACID, 1'-((4-METHYLPHENYL)SULFONYL)-, 5'-METHYL 4-(PHENYLMETHYL) ESTER
Common Name English
Code System Code Type Description
FDA UNII
WDO527BMU2
Created by admin on Sat Dec 16 12:36:53 GMT 2023 , Edited by admin on Sat Dec 16 12:36:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID00147722
Created by admin on Sat Dec 16 12:36:53 GMT 2023 , Edited by admin on Sat Dec 16 12:36:53 GMT 2023
PRIMARY
CAS
106674-01-5
Created by admin on Sat Dec 16 12:36:53 GMT 2023 , Edited by admin on Sat Dec 16 12:36:53 GMT 2023
PRIMARY
NSC
679527
Created by admin on Sat Dec 16 12:36:53 GMT 2023 , Edited by admin on Sat Dec 16 12:36:53 GMT 2023
PRIMARY
PUBCHEM
386819
Created by admin on Sat Dec 16 12:36:53 GMT 2023 , Edited by admin on Sat Dec 16 12:36:53 GMT 2023
PRIMARY