(3-acetamidoacridin-9-yl)-[4-(hexylsulfonylamino)phenyl]azanium; methanesulfonate

Systemtic Name: (3-acetamidoacridin-9-yl)-[4-(hexylsulfonylamino)phenyl]azanium; methanesulfonate Openeye Name: (3-acetamidoacridin-9-yl)-[4-(hexylsulfonylamino)phenyl]ammonium; methanesulfonate CAS Name: (3-acetamido-9-acridinyl)-[4-(hexylsulfonylamino)phenyl]ammonium; methanesulfonate IUPAC Name: (3-acetamidoacridin-9-yl)-[4-(hexylsulfonylamino)phenyl]azanium; methanesulfonate Traditional Name: (3-acetamidoacridin-9-yl)-[4-(hexylsulfonylamino)phenyl]ammonium mesylate Formula: C28H34N4O6S2 MolecularWeight: 586.72276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3S.CH4O3S/c1-3-4-5-8-17-35(33,34)31-21-13-11-20(12-14-21)29-27-23-9-6-7-10-25(23)30-26-18-22(28-19(2)32)15-16-24(26)27;1-5(2,3)4/h6-7,9-16,18,31H,3-5,8,17H2,1-2H3,(H,28,32)(H,29,30);1H3,(H,2,3,4)