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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[1-octyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-octyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-octylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-(1-octyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C31H34N4O4S2 MolecularWeight: 590.75606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H34N4O4S2/c1-3-4-5-6-7-13-22-35-30-28(32-26-16-11-12-17-27(26)33-30)29(40(36,37)24-20-18-23(2)19-21-24)31(35)34-41(38,39)25-14-9-8-10-15-25/h8-12,14-21,34H,3-7,13,22H2,1-2H3