N-[azanyl(phenylazanyl)methylidene]-6-chloranyl-quinoline-4-carboxamide; methanesulfonate

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-6-chloranyl-quinoline-4-carboxamide; methanesulfonate Openeye Name: N-[amino(anilino)methylene]-6-chloro-quinoline-4-carboxamide; methanesulfonate CAS Name: N-[amino(anilino)methylidene]-6-chloro-4-quinolinecarboxamide; methanesulfonate IUPAC Name: N-[amino(anilino)methylidene]-6-chloroquinoline-4-carboxamide; methanesulfonate Traditional Name: N-[amino(anilino)methylene]-6-chloro-cinchoninamide mesylate Formula: C18H16ClN4O4S- MolecularWeight: 419.86204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)NC(=NC(=O)C2=C3C=C(C=CC3=NC=C2)Cl)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)NC(=NC(=O)C2=C3C=C(C=CC3=NC=C2)Cl)N

InChI

InChI=1S/C17H13ClN4O.CH4O3S/c18-11-6-7-15-14(10-11)13(8-9-20-15)16(23)22-17(19)21-12-4-2-1-3-5-12;1-5(2,3)4/h1-10H,(H3,19,21,22,23);1H3,(H,2,3,4)/p-1