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

Systemtic Name: 4-bromanyl-N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[1-phenethyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(4-methylphenyl)sulfonyl-1-phenethylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-(1-phenethyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C31H25BrN4O4S2 MolecularWeight: 661.5886

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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)NS(=O)(=O)C6=CC=C(C=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)NS(=O)(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C31H25BrN4O4S2/c1-21-11-15-24(16-12-21)41(37,38)29-28-30(34-27-10-6-5-9-26(27)33-28)36(20-19-22-7-3-2-4-8-22)31(29)35-42(39,40)25-17-13-23(32)14-18-25/h2-18,35H,19-20H2,1H3