Basic information
- Standard SMILES
Cc1noc(-c2ccccc2N(C)C(=O)OC2CCN(CCNS(C)(=O)=O)CC2)n1.O=C(O)/C=C\C(=O)O- InChIKey
MVYYFKNGJNCPHS-BTJKTKAUSA-N- Molecular formula
- C23H31N5O9S
- Average molar mass
- 553.6 g/mol
- Monoisotopic mass
- 553.18424876
Names & identifiers
- Preferred name
- [1-[2-[(Methylsulphonyl)amino]ethyl]-4-piperidinyl]methyl[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (Z)-2-butenedioate
- IUPAC
- (Z)-but-2-enedioic acid;[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
Names & synonyms
SCHEMBL7401568MVYYFKNGJNCPHS-BTJKTKAUSA-N[1-[2-[(Methylsulphonyl)amino]ethyl]-4-piperidinyl]methyl[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (Z)-2-butenedioate
Database identifiers
- PubChem CID
- 70079873
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 784
Related reactions
1 records
Compound notes
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