Basic information
- Standard SMILES
CCCCCCCCCCC#Cc1cc(C)c(N(C)S(=O)(=O)c2ccc(OC)cc2)c(C(=O)OC)c1- InChIKey
GITNRCVYWIRQNZ-UHFFFAOYSA-N- Molecular formula
- C29H39NO5S
- Average molar mass
- 513.7 g/mol
Names & identifiers
- Preferred name
- 5-Dodec-1-ynyl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
- IUPAC
- methyl 5-dodec-1-ynyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methylbenzoate
Names & synonyms
SCHEMBL7324786GITNRCVYWIRQNZ-UHFFFAOYSA-N5-Dodec-1-ynyl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 70055816
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 816
Related reactions
2 records
Compound notes
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