Basic information
- Standard SMILES
COC(=O)C=C(C)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1- InChIKey
ZXQOWEWWPSZGEU-UHFFFAOYSA-N- Molecular formula
- C19H17NO4S
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-Benzenesulfonyl-1H-indol-5-yl)-but-2-enoic acid methyl ester
- IUPAC
- methyl 3-[1-(benzenesulfonyl)indol-5-yl]but-2-enoate
Names & synonyms
SCHEMBL4856141ZXQOWEWWPSZGEU-UHFFFAOYSA-N3-(1-Benzenesulfonyl-1H-indol-5-yl)-but-2-enoic acid methyl ester
Database identifiers
- PubChem CID
- 69218924
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 616
Related reactions
3 records
Compound notes
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