Basic information
- Standard SMILES
CCCCCCCCN(C)C(=O)C=Cc1cc(C)c(N(C)S(=O)(=O)c2ccc(OC)cc2)c(C(=O)O)c1- InChIKey
GVZFFERFHDZCPK-UHFFFAOYSA-N- Molecular formula
- C28H38N2O6S
- Average molar mass
- 530.7 g/mol
- Monoisotopic mass
- 530.24505811
Names & identifiers
- Preferred name
- 2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-5-[2-(methyl-octyl-carbamoyl)-vinyl]-benzoic acid
- IUPAC
- 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[methyl(octyl)amino]-3-oxoprop-1-enyl]benzoic acid
Names & synonyms
SCHEMBL7310943GVZFFERFHDZCPK-UHFFFAOYSA-N2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-5-[2-(methyl-octyl-carbamoyl)-vinyl]-benzoic acid
Database identifiers
- PubChem CID
- 70052092
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 847
Related reactions
1 records
Compound notes
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