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

Systemtic Name: 3-bromanyl-N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-[1-allyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-bromo-benzamide CAS Name: 3-bromo-N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: 3-bromo-N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: N-(1-allyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-bromo-benzamide Formula: C27H21BrN4O3S MolecularWeight: 561.44964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC=C)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC=C)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C27H21BrN4O3S/c1-3-15-32-25-23(29-21-9-4-5-10-22(21)30-25)24(36(34,35)20-13-11-17(2)12-14-20)26(32)31-27(33)18-7-6-8-19(28)16-18/h3-14,16H,1,15H2,2H3,(H,31,33)