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

Systemtic Name: 3-bromanyl-N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-[3-(benzenesulfonyl)-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl]-3-bromo-benzamide CAS Name: N-[3-(benzenesulfonyl)-1-butyl-2-pyrrolo[3,2-b]quinoxalinyl]-3-bromobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-1-butylpyrrolo[3,2-b]quinoxalin-2-yl]-3-bromobenzamide Traditional Name: N-(3-besyl-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-bromo-benzamide Formula: C27H23BrN4O3S MolecularWeight: 563.46552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrN4O3S/c1-2-3-16-32-25-23(29-21-14-7-8-15-22(21)30-25)24(36(34,35)20-12-5-4-6-13-20)26(32)31-27(33)18-10-9-11-19(28)17-18/h4-15,17H,2-3,16H2,1H3,(H,31,33)