N-[bis(azanyl)methylidene]-5-(butylsulfonylamino)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-5-(butylsulfonylamino)-2-phenyl-quinoline-4-carboxamide Openeye Name: 5-(butylsulfonylamino)-N-(diaminomethylene)-2-phenyl-quinoline-4-carboxamide CAS Name: 5-(butylsulfonylamino)-N-(diaminomethylidene)-2-phenyl-4-quinolinecarboxamide IUPAC Name: 5-(butylsulfonylamino)-N-(diaminomethylidene)-2-phenylquinoline-4-carboxamide Traditional Name: 5-(butylsulfonylamino)-N-(diaminomethylene)-2-phenyl-cinchoninamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=CC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N=C(N)N

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=CC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N=C(N)N

InChI

InChI=1S/C21H23N5O3S/c1-2-3-12-30(28,29)26-17-11-7-10-16-19(17)15(20(27)25-21(22)23)13-18(24-16)14-8-5-4-6-9-14/h4-11,13,26H,2-3,12H2,1H3,(H4,22,23,25,27)