N-[azanyl(phenylazanyl)methylidene]-8-(butan-2-ylsulfonylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-8-(butan-2-ylsulfonylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-8-(sec-butylsulfonylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-8-(butan-2-ylsulfonylamino)-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-8-(butan-2-ylsulfonylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-8-(sec-butylsulfonylamino)cinchoninamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)NC1=CC=CC2=C(C=CN=C21)C(=O)N=C(N)NC3=CC=CC=C3

Isomeric SMILES

CCC(C)S(=O)(=O)NC1=CC=CC2=C(C=CN=C21)C(=O)N=C(N)NC3=CC=CC=C3

InChI

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