4-chloranyl-N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Openeye Name: 4-chloro-N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide CAS Name: 4-chloro-N-(3-cyano-1-pentyl-2-pyrrolo[3,2-b]quinoxalinyl)benzenesulfonamide IUPAC Name: 4-chloro-N-(3-cyano-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Traditional Name: N-(1-amyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-chloro-benzenesulfonamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5O2S/c1-2-3-6-13-28-21(27-31(29,30)16-11-9-15(23)10-12-16)17(14-24)20-22(28)26-19-8-5-4-7-18(19)25-20/h4-5,7-12,27H,2-3,6,13H2,1H3