N-[bis(azanyl)methylidene]-6-(pentylsulfonylamino)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-6-(pentylsulfonylamino)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-6-(pentylsulfonylamino)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-6-(pentylsulfonylamino)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-6-(pentylsulfonylamino)-2-phenylquinoline-4-carboxamide Traditional Name: 6-(amylsulfonylamino)-N-(diaminomethylene)-2-phenyl-cinchoninamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3

Isomeric SMILES

CCCCCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3S/c1-2-3-7-12-31(29,30)27-16-10-11-19-17(13-16)18(21(28)26-22(23)24)14-20(25-19)15-8-5-4-6-9-15/h4-6,8-11,13-14,27H,2-3,7,12H2,1H3,(H4,23,24,26,28)