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

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-8-(methylsulfonylamino)quinoline-4-carboxamide; methanesulfonate Openeye Name: N-[amino(anilino)methylene]-8-(methanesulfonamido)quinoline-4-carboxamide; methanesulfonate CAS Name: N-[amino(anilino)methylidene]-8-(methanesulfonamido)-4-quinolinecarboxamide; methanesulfonate IUPAC Name: N-[amino(anilino)methylidene]-8-(methanesulfonamido)quinoline-4-carboxamide; methanesulfonate Traditional Name: N-[amino(anilino)methylene]-8-(methanesulfonamido)cinchoninamide mesylate Formula: C19H20N5O6S2- MolecularWeight: 478.522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S.CH4O3S/c1-27(25,26)23-15-9-5-8-13-14(10-11-20-16(13)15)17(24)22-18(19)21-12-6-3-2-4-7-12;1-5(2,3)4/h2-11,23H,1H3,(H3,19,21,22,24);1H3,(H,2,3,4)/p-1