[5-(Biphenyl-4-sulfonylamino)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid tert-butyl ester

HCID 59192584
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Basic information

Standard SMILES
CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIKey
HSDADEOIUPFNEH-UHFFFAOYSA-N
Molecular formula
C28H31NO5S
Average molar mass
493.6 g/mol
Monoisotopic mass
493.19229426

Names & identifiers

Preferred name
[5-(Biphenyl-4-sulfonylamino)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[[5-[(4-phenylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate

Names & synonyms

SCHEMBL1847251HSDADEOIUPFNEH-UHFFFAOYSA-N[5-(biphenyl-4-sulfonylamino)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid tert-butyl ester

Database identifiers

PubChem CID
59192584

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
90.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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