Basic information
- Standard SMILES
COC(=O)c1ccc(CN([C@@H]2CCCC[C@@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
FFNDSEQKMKUZGS-VQTJNVASSA-N- Molecular formula
- C22H25ClN2O5S
- Average molar mass
- 465 g/mol
Names & identifiers
- Preferred name
- cis-4-[[(2-Carbamoyl-cyclohexyl)-(4-chlorobenzenesulfonyl)-amino]-methyl]-benzoic acid methyl ester
- IUPAC
- methyl 4-[[[(1R,2S)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]benzoate
Names & synonyms
SCHEMBL6076704FFNDSEQKMKUZGS-VQTJNVASSA-N4-[[(1R,2S)-(2-carbamoyl-cyclohexyl)-(4-chlorobenzenesulfonyl)-amino]-methyl]-benzoic acid methyl estercis-4-[[(2-Carbamoyl-cyclohexyl)-(4-chlorobenzenesulfonyl)-amino]-methyl]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 11202122
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 725
Related reactions
2 records
Compound notes
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