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Details

Stereochemistry RACEMIC
Molecular Formula C20H20ClNO5S
Molecular Weight 421.895
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Chloro-4-(ethoxycarbonyl)-5-oxo-N-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine

SMILES

CCOC(=O)C1CCN(C2=CC=C(Cl)C=C2C1=O)S(=O)(=O)C3=CC=C(C)C=C3

InChI

InChIKey=JCSQLIDJOVIORL-UHFFFAOYSA-N
InChI=1S/C20H20ClNO5S/c1-3-27-20(24)16-10-11-22(18-9-6-14(21)12-17(18)19(16)23)28(25,26)15-7-4-13(2)5-8-15/h4-9,12,16H,3,10-11H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
7-Chloro-4-(ethoxycarbonyl)-5-oxo-N-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
Systematic Name English
1H-1-Benzazepine-4-carboxylic acid, 7-chloro-2,3,4,5-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5-oxo-, ethyl ester
Systematic Name English
Ethyl 7-chloro-2,3,4,5-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5-oxo-1H-1-benzazepine-4-carboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
CL38SZ88Q5
Created by admin on Sat Dec 16 19:15:00 GMT 2023 , Edited by admin on Sat Dec 16 19:15:00 GMT 2023
PRIMARY
CAS
1133419-00-7
Created by admin on Sat Dec 16 19:15:00 GMT 2023 , Edited by admin on Sat Dec 16 19:15:00 GMT 2023
PRIMARY
PUBCHEM
66981125
Created by admin on Sat Dec 16 19:15:00 GMT 2023 , Edited by admin on Sat Dec 16 19:15:00 GMT 2023
PRIMARY
NIH
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