N-[azanyl(phenylazanyl)methylidene]-7-(2-methylpropylsulfonylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-7-(2-methylpropylsulfonylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-7-(isobutylsulfonylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-7-(2-methylpropylsulfonylamino)-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-7-(2-methylpropylsulfonylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-7-(isobutylsulfonylamino)cinchoninamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)NC1=CC2=NC=CC(=C2C=C1)C(=O)N=C(N)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CS(=O)(=O)NC1=CC2=NC=CC(=C2C=C1)C(=O)N=C(N)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3S/c1-14(2)13-30(28,29)26-16-8-9-17-18(10-11-23-19(17)12-16)20(27)25-21(22)24-15-6-4-3-5-7-15/h3-12,14,26H,13H2,1-2H3,(H3,22,24,25,27)