N-(2-azanylethynyl)-4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]sulfamoyl]benzamide

Systemtic Name: N-(2-azanylethynyl)-4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]sulfamoyl]benzamide Openeye Name: N-(2-aminoethynyl)-4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]sulfamoyl]benzamide CAS Name: N-(2-aminoethynyl)-4-[[4-[(3-nitro-9-acridinyl)amino]phenyl]sulfamoyl]benzamide IUPAC Name: N-(2-aminoethynyl)-4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]sulfamoyl]benzamide Traditional Name: N-(2-aminoethynyl)-4-[[4-[(3-nitroacridin-9-yl)amino]phenyl]sulfamoyl]benzamide Formula: C28H20N6O5S MolecularWeight: 552.5606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)C(=O)NC#CN

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)C(=O)NC#CN

InChI

InChI=1S/C28H20N6O5S/c29-15-16-30-28(35)18-5-12-22(13-6-18)40(38,39)33-20-9-7-19(8-10-20)31-27-23-3-1-2-4-25(23)32-26-17-21(34(36)37)11-14-24(26)27/h1-14,17,33H,29H2,(H,30,35)(H,31,32)