Compound C29H37N3O6S2

acridin-9-yl-[2-methoxy-4-(octylsulfonylamino)phenyl]azanium;methanesulfonate

CAS: 71798-54-4

Molecular Formula	`C29H37N3O6S2`
Molecular Weight	587.8 g/mol
Topological Polar Surface Area	159.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	587.2124
Heavy Atoms	40
Complexity	785.0

Chemical Identifiers

CAS Number	71798-54-4
SMILES	`CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)[O-]`
InChIKey	`WYMCYXSWPGTQQP-UHFFFAOYSA-N`

📖 Product Overview

Compound C29H37N3O6S2 (CAS: 71798-54-4) is a chemical compound with molecular formula C29H37N3O6S2 and molecular weight 587.8 g/mol. Its IUPAC systematic name is acridin-9-yl-[2-methoxy-4-(octylsulfonylamino)phenyl]azanium;methanesulfonate. Topological Polar Surface Area 159.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 12 Exact Mass 587.2124 Heavy Atoms 40 Complexity 785.0 InChI Key: WYMCYXSWPGTQQP-UHFFFAOYSA-N. SMILES: CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)[O-].

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