3-bromanyl-N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide

Systemtic Name: 3-bromanyl-N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: 3-bromo-N-[1-butyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 3-bromo-N-[1-butyl-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: 3-bromo-N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: 3-bromo-N-(1-butyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Formula: C28H25BrN4O3S MolecularWeight: 577.4921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H25BrN4O3S/c1-3-4-16-33-26-24(30-22-10-5-6-11-23(22)31-26)25(37(35,36)21-14-12-18(2)13-15-21)27(33)32-28(34)19-8-7-9-20(29)17-19/h5-15,17H,3-4,16H2,1-2H3,(H,32,34)