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Basic information
- Standard SMILES
CCC1C(=O)N(C(Cc2ccc3ccccc3c2)C(=O)OC)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
BNNRZLIEVUALHH-UHFFFAOYSA-N- Molecular formula
- C26H27N3O7S
- Average molar mass
- 525.6 g/mol
- Monoisotopic mass
- 525.15697138
Names & identifiers
- Preferred name
- 2-[3-Ethyl-4-(2-nitrobenzenesulfonyl)-2-oxo-piperazin-1-yl]-3-naphthalen-2-yl-propionic acid methyl ester
- IUPAC
- methyl 2-[3-ethyl-4-(2-nitrophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
Names & synonyms
SCHEMBL5844830BNNRZLIEVUALHH-UHFFFAOYSA-N2-[3-ethyl-4-(2-nitrobenzenesulfonyl)-2-oxo-piperazin-1-yl]-3-naphthalen-2-yl-propionic acid methyl ester2-[3-ethyl-4-(2-nitrobenzenesulfonyl)-2-oxo-piperazin-1yl]-3-naphthalen-2-yl-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69587764
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 947
Related reactions
3 records
Compound notes
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