[4-(hexylsulfonylamino)-2-methoxy-phenyl]-(2-nitroacridin-9-yl)azanium chloride

Systemtic Name: [4-(hexylsulfonylamino)-2-methoxy-phenyl]-(2-nitroacridin-9-yl)azanium chloride Openeye Name: [4-(hexylsulfonylamino)-2-methoxy-phenyl]-(2-nitroacridin-9-yl)ammonium chloride CAS Name: [4-(hexylsulfonylamino)-2-methoxyphenyl]-(2-nitro-9-acridinyl)ammonium chloride IUPAC Name: [4-(hexylsulfonylamino)-2-methoxyphenyl]-(2-nitroacridin-9-yl)azanium chloride Traditional Name: [4-(hexylsulfonylamino)-2-methoxy-phenyl]-(2-nitroacridin-9-yl)ammonium chloride Formula: C26H29ClN4O5S MolecularWeight: 545.05026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=C(C=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC.[Cl-]

Isomeric SMILES

CCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=C(C=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC.[Cl-]

InChI

InChI=1S/C26H28N4O5S.ClH/c1-3-4-5-8-15-36(33,34)29-18-11-13-24(25(16-18)35-2)28-26-20-9-6-7-10-22(20)27-23-14-12-19(30(31)32)17-21(23)26;/h6-7,9-14,16-17,29H,3-5,8,15H2,1-2H3,(H,27,28);1H