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Details

Stereochemistry ACHIRAL
Molecular Formula C19H22FN3O3S.C4H4O4
Molecular Weight 507.532
Optical Activity UNSPECIFIED
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=CC(=CC=C1S(=O)(=O)C2=CC(F)=CC=C2)N3CCCNCC3

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

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C19H22FN3O3S
Molecular Weight 391.46
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 13:13:42 UTC 2019
Edited
by admin
on Tue Oct 22 13:13:42 UTC 2019
Record UNII
M3FR60N2WM
Record Status Validated (UNII)
Record Version
  • Download
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
CAS
627463-79-0
Created by admin on Tue Oct 22 13:13:42 UTC 2019 , Edited by admin on Tue Oct 22 13:13:42 UTC 2019
PRIMARY
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