Basic information
- CAS
67658-59-7- Standard SMILES
CN1C[C@H](CNS(=O)(=O)N2CCCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
LHGYWTJSKXETSD-MGPUTAFESA-N- Molecular formula
- C21H28N4O2S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.19329732
Names & identifiers
- Preferred name
- 1-Piperidinesulfonamide, N-(((8-beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-
- IUPAC
- N-[[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]piperidine-1-sulfonamide
Names & synonyms
1-Piperidinesulfonamide, N-(((8-beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide67658-59-7DTXSID80217972N-(((8-beta)-9,10-Didehydro-6-methylergolin-8-yl)methyl)-1-piperidinesulfonamideRefChem:234466DTXCID30140463N-[(6-Methyl-9,10-didehydroergolin-8beta-yl)methyl]piperidine-1-sulfonamide
Database identifiers
- CAS
67658-59-7- PubChem CID
- 3051690
- DTXSID
DTXSID80217972
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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