[4-(heptylsulfonylamino)-2-methoxy-phenyl]-(3-nitroacridin-9-yl)azanium chloride

Systemtic Name: [4-(heptylsulfonylamino)-2-methoxy-phenyl]-(3-nitroacridin-9-yl)azanium chloride Openeye Name: [4-(heptylsulfonylamino)-2-methoxy-phenyl]-(3-nitroacridin-9-yl)ammonium chloride CAS Name: [4-(heptylsulfonylamino)-2-methoxyphenyl]-(3-nitro-9-acridinyl)ammonium chloride IUPAC Name: [4-(heptylsulfonylamino)-2-methoxyphenyl]-(3-nitroacridin-9-yl)azanium chloride Traditional Name: [4-(heptylsulfonylamino)-2-methoxy-phenyl]-(3-nitroacridin-9-yl)ammonium chloride Formula: C27H31ClN4O5S MolecularWeight: 559.07684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O5S.ClH/c1-3-4-5-6-9-16-37(34,35)30-19-12-15-24(26(17-19)36-2)29-27-21-10-7-8-11-23(21)28-25-18-20(31(32)33)13-14-22(25)27;/h7-8,10-15,17-18,30H,3-6,9,16H2,1-2H3,(H,28,29);1H