3-[3-(Naphthalene-1-sulfonylmethyl)-4-nitro-phenoxy]-pyrrolidine-1-carboxylic acid benzyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])c(CS(=O)(=O)c3cccc4ccccc34)c2)C1- InChIKey
CNMUDJVBFMXDNJ-UHFFFAOYSA-N- Molecular formula
- C29H26N2O7S
- Average molar mass
- 546.6 g/mol
Names & identifiers
- Preferred name
- 3-[3-(Naphthalene-1-sulfonylmethyl)-4-nitro-phenoxy]-pyrrolidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 3-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitrophenoxy]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3556392CNMUDJVBFMXDNJ-UHFFFAOYSA-N3-[3-(naphthalene-1-sulfonylmethyl)-4-nitro-phenoxy]-pyrrolidine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 58828625
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 942
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…