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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[1-phenethyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-(1-phenethyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C31H26N4O4S2 MolecularWeight: 582.69254

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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=CC=C6

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=CC=C6

InChI

InChI=1S/C31H26N4O4S2/c1-22-16-18-24(19-17-22)40(36,37)29-28-30(33-27-15-9-8-14-26(27)32-28)35(21-20-23-10-4-2-5-11-23)31(29)34-41(38,39)25-12-6-3-7-13-25/h2-19,34H,20-21H2,1H3