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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-octyl-pyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[1-octyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-octyl-2-pyrrolo[3,2-b]quinoxalinyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-octylpyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide Traditional Name: N-(1-octyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)naphthalene-2-sulfonamide Formula: C35H36N4O4S2 MolecularWeight: 640.81474

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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=CC6=CC=CC=C6C=C5

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C35H36N4O4S2/c1-3-4-5-6-7-12-23-39-34-32(36-30-15-10-11-16-31(30)37-34)33(44(40,41)28-20-17-25(2)18-21-28)35(39)38-45(42,43)29-22-19-26-13-8-9-14-27(26)24-29/h8-11,13-22,24,38H,3-7,12,23H2,1-2H3