10-methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide; methyl sulfate

Systemtic Name: 10-methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide; methyl sulfate Openeye Name: 10-methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide; methyl sulfate CAS Name: 10-methyl-N-[4-[(2-phenyl-3-pyrazolyl)sulfamoyl]phenyl]-9-acridin-10-iumcarboxamide; methyl sulfate IUPAC Name: 10-methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide; methyl sulfate Traditional Name: 10-methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide; methyl sulfate Formula: C31H27N5O7S2 MolecularWeight: 645.70538

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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=CC=NN5C6=CC=CC=C6.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=CC=NN5C6=CC=CC=C6.COS(=O)(=O)[O-]

InChI

InChI=1S/C30H23N5O3S.CH4O4S/c1-34-26-13-7-5-11-24(26)29(25-12-6-8-14-27(25)34)30(36)32-21-15-17-23(18-16-21)39(37,38)33-28-19-20-31-35(28)22-9-3-2-4-10-22;1-5-6(2,3)4/h2-20H,1H3,(H-,31,32,33,36);1H3,(H,2,3,4)