4-(3,4-Dichlorobenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

HCID 86628246
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Basic information

Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21
InChIKey
ZXGYWUSNXPBQME-UHFFFAOYSA-N
Molecular formula
C33H33Cl2N3O6S
Average molar mass
670.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL3043784ZXGYWUSNXPBQME-UHFFFAOYSA-N4-(3,4-dichlorobenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

Database identifiers

PubChem CID
86628246

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
45

Related reactions

1 records
New reaction record

Linked notes

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