10-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide; methyl sulfate

Systemtic Name: 10-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide; methyl sulfate Openeye Name: 10-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide; methyl sulfate CAS Name: 10-methyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-9-acridin-10-iumcarboxamide; methyl sulfate IUPAC Name: 10-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide; methyl sulfate Traditional Name: 10-methyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide; methyl sulfate Formula: C26H23N5O7S2 MolecularWeight: 581.62012

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H19N5O3S.CH4O4S/c1-30-21-9-4-2-7-19(21)23(20-8-3-5-10-22(20)30)24(31)28-17-11-13-18(14-12-17)34(32,33)29-25-26-15-6-16-27-25;1-5-6(2,3)4/h2-16H,1H3,(H-,26,27,28,29,31);1H3,(H,2,3,4)