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Home> Hot Product Listed M   > MCULE-8410213954
680185-48-2 structure

MCULE-8410213954

Iupac Name:4-[bis(2-methoxyethyl)carbamoylamino]benzenesulfonyl chloride
CAS No.:680185-48-2
Molecular Weight:350.814
Molecular Formula:C22H27N3O7S (isomer)
Names and Identifiers
Synonyms

1-{2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetyl}imidazolidin-2-one MOLPORT-009-099-386 Z821770854 ZINC71824796

Inchi
InChI=1S/C13H19ClN2O5S/c1-20-9-7-16(8-10-21-2)13(17)15-11-3-5-12(6-4-11)22(14,18)19/h3-6H,7-10H2,1-2H3,(H,15,17)
InChkey
KJQBIEGSQVUCFA-UHFFFAOYSA-N
Canonical Smiles
COCCN(CCOC)C(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
Properties
Refractive Index
1.554
Computational chemical data
  • Molecular Weight:350.814g/mol
  • Molecular Formula:C22H27N3O7S
  • Compound Is Canonicalized:True
  • Exact Mass:350.07
  • Monoisotopic Mass:350.07
  • Complexity:424
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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