N-(1H-benzimidazol-2-ylmethyl)-5-[4-(cyclohexylamino)phthalazin-3-ium-1-yl]-2-methyl-benzenesulfonamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(cyclohexylamino)phthalazin-3-ium-1-yl]-2-methyl-benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(cyclohexylamino)phthalazin-3-ium-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(cyclohexylamino)-1-phthalazin-3-iumyl]-2-methylbenzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(cyclohexylamino)phthalazin-3-ium-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(cyclohexylamino)phthalazin-3-ium-1-yl]-2-methyl-benzenesulfonamide Formula: C29H31N6O2S+ MolecularWeight: 527.66044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NC4CCCCC4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NC4CCCCC4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H30N6O2S/c1-19-15-16-20(17-26(19)38(36,37)30-18-27-32-24-13-7-8-14-25(24)33-27)28-22-11-5-6-12-23(22)29(35-34-28)31-21-9-3-2-4-10-21/h5-8,11-17,21,30H,2-4,9-10,18H2,1H3,(H,31,35)(H,32,33)/p+1