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Details

Stereochemistry ACHIRAL
Molecular Formula C16H24N2O3S.ClH
Molecular Weight 360.899
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[3-(azepan-1-yl)propanoyl]phenyl]methanesulfonamide,hydrochloride

SMILES

Cl.CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CCN2CCCCCC2

InChI

InChIKey=AKFAILRXRKWAAX-UHFFFAOYSA-N
InChI=1S/C16H24N2O3S.ClH/c1-22(20,21)17-15-8-6-14(7-9-15)16(19)10-13-18-11-4-2-3-5-12-18;/h6-9,17H,2-5,10-13H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H24N2O3S
Molecular Weight 324.438
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 09:30:06 GMT 2023
Edited
by admin
on Sat Dec 16 09:30:06 GMT 2023
Record UNII
USV4V35SQ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[4-[3-(azepan-1-yl)propanoyl]phenyl]methanesulfonamide,hydrochloride
Systematic Name English
Methanesulfonamide, N-[4-[3-(hexahydro-1H-azepin-1-yl)-1-oxopropyl]phenyl]-, monohydrochloride
Systematic Name English
METHANESULFONANILIDE, 4'-(3-(HEXAHYDRO-1H-AZEPIN-1-YL)PROPIONYL)-, HYDROCHLORIDE
Systematic Name English
Methanesulfonamide, N-[4-[3-(hexahydro-1H-azepin-1-yl)-1-oxopropyl]phenyl]-, hydrochloride (1:1)
Systematic Name English
4′-(3-Hexamethyleniminopropionyl)methanesulfonanilide hydrochloride
Systematic Name English
NSC-309470
Code English
Code System Code Type Description
PUBCHEM
3042692
Created by admin on Sat Dec 16 09:30:06 GMT 2023 , Edited by admin on Sat Dec 16 09:30:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID80208981
Created by admin on Sat Dec 16 09:30:06 GMT 2023 , Edited by admin on Sat Dec 16 09:30:06 GMT 2023
PRIMARY
CAS
60232-94-2
Created by admin on Sat Dec 16 09:30:06 GMT 2023 , Edited by admin on Sat Dec 16 09:30:06 GMT 2023
PRIMARY
FDA UNII
USV4V35SQ6
Created by admin on Sat Dec 16 09:30:06 GMT 2023 , Edited by admin on Sat Dec 16 09:30:06 GMT 2023
PRIMARY
NSC
309470
Created by admin on Sat Dec 16 09:30:06 GMT 2023 , Edited by admin on Sat Dec 16 09:30:06 GMT 2023
PRIMARY