Basic information
- Standard SMILES
COC(=O)c1cc(C=CC(=O)OC(C)(C)C)cc(C)c1N(C)S(=O)(=O)c1ccc(OC)cc1- InChIKey
XLRWDFIRZWVPGN-UHFFFAOYSA-N- Molecular formula
- C24H29NO7S
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.16647344
Names & identifiers
- Preferred name
- 5-(2-tert-Butoxycarbonyl-vinyl)-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
- IUPAC
- methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate
Names & synonyms
SCHEMBL7321309XLRWDFIRZWVPGN-UHFFFAOYSA-N5-(2-tert-Butoxycarbonyl-vinyl)-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 70054896
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 804
Related reactions
6 records
Compound notes
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