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

Systemtic Name: 3-bromanyl-N-[3-(4-methylphenyl)sulfonyl-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: 3-bromo-N-[1-(1-phenylethyl)-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 3-bromo-N-[3-(4-methylphenyl)sulfonyl-1-(1-phenylethyl)-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: 3-bromo-N-[3-(4-methylphenyl)sulfonyl-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: 3-bromo-N-[1-(1-phenylethyl)-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)C(C)C5=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)C(C)C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)Br

InChI

InChI=1S/C32H25BrN4O3S/c1-20-15-17-25(18-16-20)41(39,40)29-28-30(35-27-14-7-6-13-26(27)34-28)37(21(2)22-9-4-3-5-10-22)31(29)36-32(38)23-11-8-12-24(33)19-23/h3-19,21H,1-2H3,(H,36,38)