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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H22FN3O3S.C4H4O4
Molecular Weight 507.532
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(2-((3-FLUOROPHENYL)SULFONYL)-5-(HEXAHYDRO-1H-1,4-DIAZEPIN-1-YL)PHENYL)ACETAMIDE MALEIC ACID

SMILES

OC(=O)\C=C/C(O)=O.CC(=O)NC1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC(F)=CC=C3

InChI

InChIKey=FMENYCJDIPFKTG-BTJKTKAUSA-N
InChI=1S/C19H22FN3O3S.C4H4O4/c1-14(24)22-18-13-16(23-10-3-8-21-9-11-23)6-7-19(18)27(25,26)17-5-2-4-15(20)12-17;5-3(6)1-2-4(7)8/h2,4-7,12-13,21H,3,8-11H2,1H3,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Approval Year

Name Type Language
N-(2-((3-FLUOROPHENYL)SULFONYL)-5-(HEXAHYDRO-1H-1,4-DIAZEPIN-1-YL)PHENYL)ACETAMIDE MALEIC ACID
Systematic Name English
ACETAMIDE, N-(2-((3-FLUOROPHENYL)SULFONYL)-5-(HEXAHYDRO-1H-1,4-DIAZEPIN-1-YL)PHENYL)-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
10391511
Created by admin on Fri Dec 15 15:57:59 GMT 2023 , Edited by admin on Fri Dec 15 15:57:59 GMT 2023
PRIMARY
CAS
627463-79-0
Created by admin on Fri Dec 15 15:57:59 GMT 2023 , Edited by admin on Fri Dec 15 15:57:59 GMT 2023
PRIMARY
FDA UNII
M3FR60N2WM
Created by admin on Fri Dec 15 15:57:59 GMT 2023 , Edited by admin on Fri Dec 15 15:57:59 GMT 2023
PRIMARY