N-[azanyl(phenylazanyl)methylidene]-5-(cyclobutylsulfonylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-5-(cyclobutylsulfonylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-5-(cyclobutylsulfonylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-5-(cyclobutylsulfonylamino)-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-5-(cyclobutylsulfonylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-5-(cyclobutylsulfonylamino)cinchoninamide Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)S(=O)(=O)NC2=CC=CC3=NC=CC(=C32)C(=O)N=C(N)NC4=CC=CC=C4

Isomeric SMILES

C1CC(C1)S(=O)(=O)NC2=CC=CC3=NC=CC(=C32)C(=O)N=C(N)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c22-21(24-14-6-2-1-3-7-14)25-20(27)16-12-13-23-17-10-5-11-18(19(16)17)26-30(28,29)15-8-4-9-15/h1-3,5-7,10-13,15,26H,4,8-9H2,(H3,22,24,25,27)