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Basic information
- Standard SMILES
O=C(O)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1- InChIKey
BNVMUDXGABBWGP-UHFFFAOYSA-N- Molecular formula
- C22H19NO4S
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.10347926
Names & identifiers
- Preferred name
- 2-(Biphenyl-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-carboxylic acid
- IUPAC
- 2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Names & synonyms
2-biPhSTICARefChem:9094112-(biphenyl-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-carboxylic acid(R)-2-([1,1'-Biphenyl]-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidSCHEMBL4308168191326-92-82-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acidPD041922
Database identifiers
- PubChem CID
- 3618
- Nikkaji
- J1.801.042I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 644
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that inhibit the enzyme activity or activation of MATRIX METALLOPROTEINASES.
Related reactions
1 records
Compound notes
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