4-(4-Sulfamoyloxyphenyl)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

HCID 68487550
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Basic information

Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(OS(N)(=O)=O)cc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21
InChIKey
KBGQCJBRBOKBRZ-UHFFFAOYSA-N
Molecular formula
C33H36N4O6S
Average molar mass
616.7 g/mol

Names & identifiers

Preferred name
4-(4-Sulfamoyloxyphenyl)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
IUPAC
tert-butyl 2-[3-oxo-7-(4-sulfamoyloxyphenyl)-1,2-dihydroisoindol-4-yl]-5-(piperidin-1-ylmethyl)indole-1-carboxylate

Names & synonyms

SCHEMBL3034197KBGQCJBRBOKBRZ-UHFFFAOYSA-N4-(4-sulfamoyloxyphenyl)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

Database identifiers

PubChem CID
68487550

Properties

Computed structural properties

XLogP
5
Topological polar surface area
141 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
44

Related reactions

2 records
New reaction record

Compound notes

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