Chemical Compound

AC1N87K9

CAS Registry Number791786-20-4
AC1N87K9 chemical structure
Primary record

AC1N87K9

CAS
791786-20-4
PubChem CID
4339448
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
Molecular Formula
C21H15NO4S
Molecular Weight
377.421
Exact Mass
377.0722
InChI
InChI=1S/C21H15NO4S/c1-13-6-8-14(9-7-13)22-27(25,26)15-10-11-18-19(12-15)21(24)17-5-3-2-4-16(17)20(18)23/h2-12,22H,1H3
InChIKey
JZMBXAQQOFJYKV-UHFFFAOYSA-N
LogP
3.5712
TPSA
80.31

Names and synonyms

  • AC1N87K9
  • JZMBXAQQOFJYKV-UHFFFAOYSA-N
  • ZINC4062677
  • ZINC04062677
  • AKOS001694514
  • CID4339448
  • 9,10-dioxo-N-(p-tolyl)-9,10-dihydroanthracene-2-sulfonamide
  • 791786-20-4
  • N-(4-methylphenyl)-9,10-dioxoanthracene-2-sulfonamide
  • N-(4-methylphenyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
  • AE-641/42122261
  • SR-01000113834
  • SR-01000113834-1
  • F1414-0298
  • N-(4-methylphenyl)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonamide