Piperidine, 1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate (1:2)
Basic information
- CAS
58722-45-5- Standard SMILES
CN1CCN(CC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
ORNAKVLLQJYICU-LVEZLNDCSA-N- Molecular formula
- C26H35N3O11S
- Average molar mass
- 597.6 g/mol
- Monoisotopic mass
- 597.19923011
Names & identifiers
- Preferred name
- Piperidine, 1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
Names & synonyms
58722-45-5Piperidine, 1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate (1:2)RefChem:10961321-((4-((4-Methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)piperidine maleate (1:2)
Database identifiers
- CAS
58722-45-5- PubChem CID
- 6446038
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 657
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Compound notes
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