3-nitro-N-[3-[(4-octoxyphenyl)amino]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[3-[(4-octoxyphenyl)amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 3-nitro-N-[3-(4-octoxyanilino)quinoxalin-2-yl]benzenesulfonamide CAS Name: 3-nitro-N-[3-(4-octoxyanilino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[3-(4-octoxyanilino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 3-nitro-N-[3-(4-octoxyanilino)quinoxalin-2-yl]benzenesulfonamide Formula: C28H31N5O5S MolecularWeight: 549.64124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O5S/c1-2-3-4-5-6-9-19-38-23-17-15-21(16-18-23)29-27-28(31-26-14-8-7-13-25(26)30-27)32-39(36,37)24-12-10-11-22(20-24)33(34)35/h7-8,10-18,20H,2-6,9,19H2,1H3,(H,29,30)(H,31,32)