Basic information
- Standard SMILES
COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4ccc(N)c([N+](=O)[O-])c4)C3=O)cc2c1- InChIKey
MSNIVFOQWJYUME-UHFFFAOYSA-N- Molecular formula
- C22H22N4O6S
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.12600561
Names & identifiers
- IUPAC
- N-[1-[(4-amino-3-nitrophenyl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
Database identifiers
- PubChem CID
- 18176425
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 828
Related reactions
2 records
Compound notes
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