Basic information
- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2ccc3ccn(S(=O)(=O)c4cc(Cl)ccc4OC)c3c2)cc1- InChIKey
MUBPTHNEKRQYFF-UHFFFAOYSA-N- Molecular formula
- C25H21ClN2O6S
- Average molar mass
- 513 g/mol
Names & identifiers
- Preferred name
- 4-{[1-(5-chloro-2-methoxy-benzenesulfonyl)-1H-indole-6-carbonyl]-amino}-benzoic acid ethyl ester
- IUPAC
- ethyl 4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]benzoate
Names & synonyms
SCHEMBL3576367MUBPTHNEKRQYFF-UHFFFAOYSA-N4-{[1-(5-chloro-2-methoxy-benzenesulfonyl)-1H-indole-6-carbonyl]-amino}-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 58831745
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 857
Related reactions
2 records
Compound notes
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