Basic information
- CAS
60515-95-9- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(N=CN3CCCC3)cc2)cc1- InChIKey
IMTUAGQCVTYFKC-UHFFFAOYSA-N- Molecular formula
- C17H17N3O4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.09397721
Names & identifiers
- Preferred name
- (E)-N-[4-(4-Nitrobenzene-1-sulfonyl)phenyl]-1-(pyrrolidin-1-yl)methanimine
- IUPAC
- N-[4-(4-nitrophenyl)sulfonylphenyl]-1-pyrrolidin-1-ylmethanimine
Names & synonyms
60515-95-9NSC291540DTXSID90315039(E)-N-[4-(4-Nitrobenzene-1-sulfonyl)phenyl]-1-(pyrrolidin-1-yl)methanimineNSC-291540
Database identifiers
- CAS
60515-95-9- PubChem CID
- 324809
- DTXSID
DTXSID90315039
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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