3-nitro-N-[3-[[4-(9H-xanthen-9-yl)phenyl]amino]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[3-[[4-(9H-xanthen-9-yl)phenyl]amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 3-nitro-N-[3-[4-(9H-xanthen-9-yl)anilino]quinoxalin-2-yl]benzenesulfonamide CAS Name: 3-nitro-N-[3-[4-(9H-xanthen-9-yl)anilino]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[3-[4-(9H-xanthen-9-yl)anilino]quinoxalin-2-yl]benzenesulfonamide Traditional Name: 3-nitro-N-[3-[4-(9H-xanthen-9-yl)anilino]quinoxalin-2-yl]benzenesulfonamide Formula: C33H23N5O5S MolecularWeight: 601.63122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=CC=C(C=C4)NC5=NC6=CC=CC=C6N=C5NS(=O)(=O)C7=CC=CC(=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=CC=C(C=C4)NC5=NC6=CC=CC=C6N=C5NS(=O)(=O)C7=CC=CC(=C7)[N+](=O)[O-]

InChI

InChI=1S/C33H23N5O5S/c39-38(40)23-8-7-9-24(20-23)44(41,42)37-33-32(35-27-12-3-4-13-28(27)36-33)34-22-18-16-21(17-19-22)31-25-10-1-5-14-29(25)43-30-15-6-2-11-26(30)31/h1-20,31H,(H,34,35)(H,36,37)