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

Systemtic Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[1-butyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide CAS Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]-2-naphthalenesulfonamide IUPAC Name: N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide Traditional Name: N-(1-butyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)naphthalene-2-sulfonamide Formula: C31H28N4O4S2 MolecularWeight: 584.70842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=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

CCCCN1C(=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/C31H28N4O4S2/c1-3-4-19-35-30-28(32-26-11-7-8-12-27(26)33-30)29(40(36,37)24-16-13-21(2)14-17-24)31(35)34-41(38,39)25-18-15-22-9-5-6-10-23(22)20-25/h5-18,20,34H,3-4,19H2,1-2H3