Allyl-(1-((S)-(benzenesulfonyl-methyl-amino)-methyl-phenyl-butyl)-piperidin-4-yl)carbamic acid, 4-nitro-benzyl ester
Basic information
- CAS
502173-16-2- Standard SMILES
C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1- InChIKey
NNARXJVWUPPZIP-UHFFFAOYSA-N- Molecular formula
- C34H42N4O6S
- Average molar mass
- 634.8 g/mol
- Monoisotopic mass
- 634.28250625
Names & identifiers
- Preferred name
- Allyl-(1-((S)-(benzenesulfonyl-methyl-amino)-methyl-phenyl-butyl)-piperidin-4-yl)carbamic acid, 4-nitro-benzyl ester
- IUPAC
- (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Names & synonyms
Allyl-(1-((S)-(benzenesulfonyl-methyl-amino)-methyl-phenyl-butyl)-piperidin-4-yl)carbamic acid, 4-nitro-benzyl ester502173-16-2SCHEMBL12207035(4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamatePD095766
Database identifiers
- CAS
502173-16-2- PubChem CID
- 483386
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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