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

Systemtic Name: 4-fluoranyl-N-[3-(4-methylphenyl)sulfonyl-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: 4-fluoro-N-[1-pentyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 4-fluoro-N-[3-(4-methylphenyl)sulfonyl-1-pentyl-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: 4-fluoro-N-[3-(4-methylphenyl)sulfonyl-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: N-(1-amyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoro-benzamide Formula: C29H27FN4O3S MolecularWeight: 530.613083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27FN4O3S/c1-3-4-7-18-34-27-25(31-23-8-5-6-9-24(23)32-27)26(38(36,37)22-16-10-19(2)11-17-22)28(34)33-29(35)20-12-14-21(30)15-13-20/h5-6,8-17H,3-4,7,18H2,1-2H3,(H,33,35)