Methanesulfonamide, N-[3-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-N-methyl-, benzenesulfonate (1:1)

CAS Registry Number®

939791-38-5
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CAS Name

Methanesulfonamide, N-[3-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-N-methyl-, benzenesulfonate (1:1)

Molecular Formula

C21H20F3N7O3S.C6H6O3S

Cite this Page

Methanesulfonamide, N-[3-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-N-methyl-, benzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=939791-38-5 (retrieved 2024-08-23) (CAS RN: 939791-38-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20F3N7O3S.C6H6O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16;7-10(8,9)6-4-2-1-3-5-6/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30);1-5H,(H,7,8,9)

InChIKey

InChIKey=LKLWTLXTOVZFAE-UHFFFAOYSA-N

SMILES

O=C1NC=2C(=CC(NC=3N=C(NCC4=C(N(S(C)(=O)=O)C)N=CC=C4)C(C(F)(F)F)=CN3)=CC2)C1.S(=O)(=O)(O)C1=CC=CC=C1

Canonical SMILES

O=C1NC2=CC=C(C=C2C1)NC3=NC=C(C(=N3)NCC4=CC=CN=C4N(C)S(=O)(=O)C)C(F)(F)F.O=S(=O)(O)C=1C=CC=CC1

Other Names for this Substance

  • Methanesulfonamide, N-[3-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]-2-pyridinyl]-N-methyl-, benzenesulfonate (1:1)
  • PF 00562271