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

Systemtic Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-methyl-benzenesulfonamide Openeye Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-methyl-benzenesulfonamide CAS Name: N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)-4-methylbenzenesulfonamide IUPAC Name: N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-4-methylbenzenesulfonamide Traditional Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-methyl-benzenesulfonamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H21N5O2S/c1-3-4-13-27-21(26-30(28,29)16-11-9-15(2)10-12-16)17(14-23)20-22(27)25-19-8-6-5-7-18(19)24-20/h5-12,26H,3-4,13H2,1-2H3