Basic information
- Standard SMILES
C=CCON([C@H]1CN[C@H](COC)C=C1C(=O)N(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
NMKWHAIIZKOFEC-YOEHRIQHSA-N- Molecular formula
- C19H26N4O7S
- Average molar mass
- 454.5 g/mol
Names & identifiers
- Preferred name
- (3R,6S)-3-(N-(allyloxy)-2-nitrophenylsulfonamido)-6-(methoxymethyl)-N,N-dimethyl-1,2,3,6-tetrahydropyridine-4-carboxamide
- IUPAC
- (3R,6S)-6-(methoxymethyl)-N,N-dimethyl-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-1,2,3,6-tetrahydropyridine-4-carboxamide
Names & synonyms
SCHEMBL15319652NMKWHAIIZKOFEC-YOEHRIQHSA-N(3R,6S)-3-(N-(allyloxy)-2-nitrophenylsulfonamido)-6-(methoxymethyl)-N,N-dimethyl-1,2,3,6-tetrahydropyridine-4-carboxamide
Database identifiers
- PubChem CID
- 89851925
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 788
Related reactions
2 records
Compound notes
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