Basic information
- Standard SMILES
CCOC(=O)CC(NC(=O)c1ccccc1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1- InChIKey
BVHXKXXIWFEBTD-UHFFFAOYSA-N- Molecular formula
- C24H23N3O7S
- Average molar mass
- 497.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-benzoylamino-3-(3-(-3-nitrobenzenesulphonylamino)-phenyl)-propionate
- IUPAC
- ethyl 3-benzamido-3-[3-[(3-nitrophenyl)sulfonylamino]phenyl]propanoate
Names & synonyms
SCHEMBL7198913BVHXKXXIWFEBTD-UHFFFAOYSA-NEthyl 3-benzoylamino-3-(3-(-3-nitrobenzenesulphonylamino)-phenyl)-propionate
Database identifiers
- PubChem CID
- 18505397
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 833
Related reactions
6 records
Compound notes
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