Methyl 5-[2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate

Substructure search Find similar structures

Basic information

CAS: 53828-84-5
Standard SMILES: COC(=O)c1ccc(C=C(c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)o1
InChIKey: JWZVKXBMKRDFNU-UHFFFAOYSA-N
Molecular formula: C20H16N2O9S
Average molar mass: 460.4 g/mol
Monoisotopic mass: 460.05765127

Names & identifiers

Preferred name: Methyl 5-[2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate
IUPAC: methyl 5-[2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate

Names & synonyms

DTXSID10315016methyl 5-[2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylateMethyl 5-[2-(4-acetamidobenzene-1-sulfonyl)-2-(5-nitrofuran-2-yl)ethen-1-yl]furan-2-carboxylate

Database identifiers

CAS: 53828-84-5
PubChem CID: 324756
DTXSID: DTXSID10315016

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 170 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 853

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…