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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N2O3S
Molecular Weight 328.386
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[5-[(2-Aminoethyl)sulfonyl]-7-isoquinolinyl]phenol

SMILES

NCCS(=O)(=O)C1=CC(=CC2=C1C=CN=C2)C3=CC=C(O)C=C3

InChI

InChIKey=RECFXYRAGCPZOS-UHFFFAOYSA-N
InChI=1S/C17H16N2O3S/c18-6-8-23(21,22)17-10-13(12-1-3-15(20)4-2-12)9-14-11-19-7-5-16(14)17/h1-5,7,9-11,20H,6,8,18H2

HIDE SMILES / InChI

Molecular Formula C17H16N2O3S
Molecular Weight 328.386
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 10:56:08 GMT 2023
Edited
by admin
on Sat Dec 16 10:56:08 GMT 2023
Record UNII
HQX117JQOA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[5-[(2-Aminoethyl)sulfonyl]-7-isoquinolinyl]phenol
Systematic Name English
4-[5-(2-Amino-ethanesulfonyl)isoquinolin-7-yl]-phenol
Systematic Name English
Phenol, 4-[5-[(2-aminoethyl)sulfonyl]-7-isoquinolinyl]-
Systematic Name English
Code System Code Type Description
CAS
1000210-64-9
Created by admin on Sat Dec 16 10:56:08 GMT 2023 , Edited by admin on Sat Dec 16 10:56:08 GMT 2023
PRIMARY
FDA UNII
HQX117JQOA
Created by admin on Sat Dec 16 10:56:08 GMT 2023 , Edited by admin on Sat Dec 16 10:56:08 GMT 2023
PRIMARY
PUBCHEM
23635803
Created by admin on Sat Dec 16 10:56:08 GMT 2023 , Edited by admin on Sat Dec 16 10:56:08 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY