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

Systemtic Name: (3-acetamidoacridin-9-yl)-[4-(pentylsulfonylamino)phenyl]azanium; methanesulfonate Openeye Name: (3-acetamidoacridin-9-yl)-[4-(pentylsulfonylamino)phenyl]ammonium; methanesulfonate CAS Name: (3-acetamido-9-acridinyl)-[4-(pentylsulfonylamino)phenyl]ammonium; methanesulfonate IUPAC Name: (3-acetamidoacridin-9-yl)-[4-(pentylsulfonylamino)phenyl]azanium; methanesulfonate Traditional Name: (3-acetamidoacridin-9-yl)-[4-(amylsulfonylamino)phenyl]ammonium mesylate Formula: C27H32N4O6S2 MolecularWeight: 572.69618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=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

CCCCCS(=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/C26H28N4O3S.CH4O3S/c1-3-4-7-16-34(32,33)30-20-12-10-19(11-13-20)28-26-22-8-5-6-9-24(22)29-25-17-21(27-18(2)31)14-15-23(25)26;1-5(2,3)4/h5-6,8-15,17,30H,3-4,7,16H2,1-2H3,(H,27,31)(H,28,29);1H3,(H,2,3,4)