acridin-9-yl-[4-(heptylsulfonylamino)-2-methoxy-phenyl]azanium; methanesulfonate

Systemtic Name: acridin-9-yl-[4-(heptylsulfonylamino)-2-methoxy-phenyl]azanium; methanesulfonate Openeye Name: acridin-9-yl-[4-(heptylsulfonylamino)-2-methoxy-phenyl]ammonium; methanesulfonate CAS Name: 9-acridinyl-[4-(heptylsulfonylamino)-2-methoxyphenyl]ammonium; methanesulfonate IUPAC Name: acridin-9-yl-[4-(heptylsulfonylamino)-2-methoxyphenyl]azanium; methanesulfonate Traditional Name: acridin-9-yl-[4-(heptylsulfonylamino)-2-methoxy-phenyl]ammonium mesylate Formula: C28H35N3O6S2 MolecularWeight: 573.724

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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)OC.CS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3S.CH4O3S/c1-3-4-5-6-11-18-34(31,32)30-20-16-17-25(26(19-20)33-2)29-27-21-12-7-9-14-23(21)28-24-15-10-8-13-22(24)27;1-5(2,3)4/h7-10,12-17,19,30H,3-6,11,18H2,1-2H3,(H,28,29);1H3,(H,2,3,4)