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

Systemtic Name: 3-nitro-N-[3-[(4-phenylmethoxyphenyl)amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(4-benzyloxyanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[3-(4-phenylmethoxyanilino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[3-(4-phenylmethoxyanilino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(4-benzoxyanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C27H21N5O5S MolecularWeight: 527.55114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O5S/c33-32(34)21-9-6-10-23(17-21)38(35,36)31-27-26(29-24-11-4-5-12-25(24)30-27)28-20-13-15-22(16-14-20)37-18-19-7-2-1-3-8-19/h1-17H,18H2,(H,28,29)(H,30,31)