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

Systemtic Name: 3-bromanyl-N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: 3-bromo-N-[1-phenethyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 3-bromo-N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: 3-bromo-N-[3-(4-methylphenyl)sulfonyl-1-phenethylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: 3-bromo-N-(1-phenethyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Formula: C32H25BrN4O3S MolecularWeight: 625.5349

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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)CCC5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)Br

InChI

InChI=1S/C32H25BrN4O3S/c1-21-14-16-25(17-15-21)41(39,40)29-28-30(35-27-13-6-5-12-26(27)34-28)37(19-18-22-8-3-2-4-9-22)31(29)36-32(38)23-10-7-11-24(33)20-23/h2-17,20H,18-19H2,1H3,(H,36,38)