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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H25F2N3O5S
Molecular Weight 541.566
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[[(4S)-5,7-Difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide

SMILES

CN(C)C(=O)C1=CC(O[C@H]2CCOC3=CC(F)=CC(F)=C23)=C4N=C(C)N(C4=C1)S(=O)(=O)C5=CC=C(C)C=C5

InChI

InChIKey=DWDFAQSNXAMYMY-QFIPXVFZSA-N
InChI=1S/C27H25F2N3O5S/c1-15-5-7-19(8-6-15)38(34,35)32-16(2)30-26-21(32)11-17(27(33)31(3)4)12-24(26)37-22-9-10-36-23-14-18(28)13-20(29)25(22)23/h5-8,11-14,22H,9-10H2,1-4H3/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H25F2N3O5S
Molecular Weight 541.566
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 Wed Apr 02 20:55:06 GMT 2025
Edited
by admin
on Wed Apr 02 20:55:06 GMT 2025
Record UNII
Y9K9C7LF6P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Benzimidazole-6-carboxamide, 4-[[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-
Preferred Name English
4-[[(4S)-5,7-Difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide
Systematic Name English
Code System Code Type Description
PUBCHEM
68574320
Created by admin on Wed Apr 02 20:55:06 GMT 2025 , Edited by admin on Wed Apr 02 20:55:06 GMT 2025
PRIMARY
CAS
942485-42-9
Created by admin on Wed Apr 02 20:55:06 GMT 2025 , Edited by admin on Wed Apr 02 20:55:06 GMT 2025
PRIMARY
FDA UNII
Y9K9C7LF6P
Created by admin on Wed Apr 02 20:55:06 GMT 2025 , Edited by admin on Wed Apr 02 20:55:06 GMT 2025
PRIMARY