4-methoxy-N-[3-[3-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]imidazol-1-ium-1-yl]propyl]benzamide

Systemtic Name: 4-methoxy-N-[3-[3-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]imidazol-1-ium-1-yl]propyl]benzamide Openeye Name: 4-methoxy-N-[3-[3-[3-(p-tolylsulfonylamino)quinoxalin-2-yl]imidazol-1-ium-1-yl]propyl]benzamide CAS Name: 4-methoxy-N-[3-[3-[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]-1-imidazol-1-iumyl]propyl]benzamide IUPAC Name: 4-methoxy-N-[3-[3-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]imidazol-1-ium-1-yl]propyl]benzamide Traditional Name: 4-methoxy-N-[3-[3-[3-(tosylamino)quinoxalin-2-yl]imidazol-1-ium-1-yl]propyl]benzamide Formula: C29H29N6O4S+ MolecularWeight: 557.64336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CCCNC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CCCNC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H28N6O4S/c1-21-8-14-24(15-9-21)40(37,38)33-27-28(32-26-7-4-3-6-25(26)31-27)35-19-18-34(20-35)17-5-16-30-29(36)22-10-12-23(39-2)13-11-22/h3-4,6-15,18-20H,5,16-17H2,1-2H3,(H-,30,31,33,36)/p+1