N-[9-[4-(butylsulfonylamino)phenyl]imino-10H-acridin-10-ium-3-yl]ethanamide; methanesulfonate

Systemtic Name: N-[9-[4-(butylsulfonylamino)phenyl]imino-10H-acridin-10-ium-3-yl]ethanamide; methanesulfonate Openeye Name: N-[9-[4-(butylsulfonylamino)phenyl]imino-10H-acridin-10-ium-3-yl]acetamide; methanesulfonate CAS Name: N-[9-[4-(butylsulfonylamino)phenyl]imino-10H-acridin-10-ium-3-yl]acetamide; methanesulfonate IUPAC Name: N-[9-[4-(butylsulfonylamino)phenyl]imino-10H-acridin-10-ium-3-yl]acetamide; methanesulfonate Traditional Name: N-[9-[4-(butylsulfonylamino)phenyl]imino-10H-acridin-10-ium-3-yl]acetamide mesylate Formula: C26H30N4O6S2 MolecularWeight: 558.6696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=C(C=C1)N=C2C3=C(C=C(C=C3)NC(=O)C)[NH2+]C4=CC=CC=C42.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=C(C=C1)N=C2C3=C(C=C(C=C3)NC(=O)C)[NH2+]C4=CC=CC=C42.CS(=O)(=O)[O-]

InChI

InChI=1S/C25H26N4O3S.CH4O3S/c1-3-4-15-33(31,32)29-19-11-9-18(10-12-19)27-25-21-7-5-6-8-23(21)28-24-16-20(26-17(2)30)13-14-22(24)25;1-5(2,3)4/h5-14,16,29H,3-4,15H2,1-2H3,(H,26,30)(H,27,28);1H3,(H,2,3,4)