U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C23H23ClN2O2S
Molecular Weight 426.959
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[(4-Chlorophenyl)phenylmethyl]-4-(phenylsulfonyl)piperazine

SMILES

ClC1=CC=C(C=C1)C(N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=SPJJNZAAMVPVFV-UHFFFAOYSA-N
InChI=1S/C23H23ClN2O2S/c24-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)25-15-17-26(18-16-25)29(27,28)22-9-5-2-6-10-22/h1-14,23H,15-18H2

HIDE SMILES / InChI

Molecular Formula C23H23ClN2O2S
Molecular Weight 426.959
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:52:14 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:14 GMT 2023
Record UNII
5PBX59Q7GT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[(4-Chlorophenyl)phenylmethyl]-4-(phenylsulfonyl)piperazine
Systematic Name English
Cetirizine phenylsulfone
Common Name English
Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-(phenylsulfonyl)-
Systematic Name English
Code System Code Type Description
CAS
1391052-52-0
Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023
PRIMARY
PUBCHEM
25123144
Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023
PRIMARY
FDA UNII
5PBX59Q7GT
Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023
PRIMARY