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

Systemtic Name: (3-acetamidoacridin-9-yl)-[4-(heptylsulfonylamino)-2-methoxy-phenyl]azanium chloride Openeye Name: (3-acetamidoacridin-9-yl)-[4-(heptylsulfonylamino)-2-methoxy-phenyl]ammonium chloride CAS Name: (3-acetamido-9-acridinyl)-[4-(heptylsulfonylamino)-2-methoxyphenyl]ammonium chloride IUPAC Name: (3-acetamidoacridin-9-yl)-[4-(heptylsulfonylamino)-2-methoxyphenyl]azanium chloride Traditional Name: (3-acetamidoacridin-9-yl)-[4-(heptylsulfonylamino)-2-methoxy-phenyl]ammonium chloride Formula: C29H35ClN4O4S MolecularWeight: 571.1306

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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)NC(=O)C)OC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O4S.ClH/c1-4-5-6-7-10-17-38(35,36)33-22-14-16-26(28(19-22)37-3)32-29-23-11-8-9-12-25(23)31-27-18-21(30-20(2)34)13-15-24(27)29;/h8-9,11-16,18-19,33H,4-7,10,17H2,1-3H3,(H,30,34)(H,31,32);1H