8-acetamido-N-[azanyl(phenylazanyl)methylidene]quinoline-4-carboxamide; methanesulfonate

Systemtic Name: 8-acetamido-N-[azanyl(phenylazanyl)methylidene]quinoline-4-carboxamide; methanesulfonate Openeye Name: 8-acetamido-N-[amino(anilino)methylene]quinoline-4-carboxamide; methanesulfonate CAS Name: 8-acetamido-N-[amino(anilino)methylidene]-4-quinolinecarboxamide; methanesulfonate IUPAC Name: 8-acetamido-N-[amino(anilino)methylidene]quinoline-4-carboxamide; methanesulfonate Traditional Name: 8-acetamido-N-[amino(anilino)methylene]cinchoninamide mesylate Formula: C20H20N5O5S- MolecularWeight: 442.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C(C=CN=C21)C(=O)N=C(N)NC3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC2=C(C=CN=C21)C(=O)N=C(N)NC3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H17N5O2.CH4O3S/c1-12(25)22-16-9-5-8-14-15(10-11-21-17(14)16)18(26)24-19(20)23-13-6-3-2-4-7-13;1-5(2,3)4/h2-11H,1H3,(H,22,25)(H3,20,23,24,26);1H3,(H,2,3,4)/p-1