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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H37N5O4S
Molecular Weight 539.689
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXYL-1-(4-((4-(2-(((2R)-2-HYDROXY-2-(PYRIDIN-3-YL)ETHYL)AMINO)ETHYL)PHENYL)SULFAMOYL)PHENYL)UREA

SMILES

CCCCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CN=C3)C=C2

InChI

InChIKey=RKIRUNUDHJGEGW-MHZLTWQESA-N
InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H37N5O4S
Molecular Weight 539.689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:32:21 GMT 2023
Edited
by admin
on Sat Dec 16 18:32:21 GMT 2023
Record UNII
4R8Y22FMW2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXYL-1-(4-((4-(2-(((2R)-2-HYDROXY-2-(PYRIDIN-3-YL)ETHYL)AMINO)ETHYL)PHENYL)SULFAMOYL)PHENYL)UREA
Systematic Name English
L-757793
Code English
BENZENESULFONAMIDE, 4-(((HEXYLAMINO)CARBONYL)AMINO)-N-(4-(2-((2-HYDROXY-2-(3-PYRIDINYL)ETHYL)AMINO)ETHYL)PHENYL)-, (R)-
Systematic Name English
L757793
Code English
BENZENESULFONAMIDE, 4-(((HEXYLAMINO)CARBONYL)AMINO)-N-(4-(2-(((2R)-2-HYDROXY-2-(3-PYRIDINYL)ETHYL)AMINO)ETHYL)PHENYL)-
Systematic Name English
4-(((HEXYLAMINO)CARBONYL)AMINO)-N-(4-(2-(((2R)-2-HYDROXY-2-(3-PYRIDINYL)ETHYL)AMINO)ETHYL)PHENYL)BENZENESULFONAMIDE
Systematic Name English
Code System Code Type Description
CAS
173901-42-3
Created by admin on Sat Dec 16 18:32:21 GMT 2023 , Edited by admin on Sat Dec 16 18:32:21 GMT 2023
PRIMARY
FDA UNII
4R8Y22FMW2
Created by admin on Sat Dec 16 18:32:21 GMT 2023 , Edited by admin on Sat Dec 16 18:32:21 GMT 2023
PRIMARY
PUBCHEM
9915238
Created by admin on Sat Dec 16 18:32:21 GMT 2023 , Edited by admin on Sat Dec 16 18:32:21 GMT 2023
PRIMARY