4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-5-methyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-5-methyl-2,1,3-benzothiadiazole IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-5-methyl-2,1,3-benzothiadiazole Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-5-methyl-piazthiole Formula: C24H25N4O2S2+ MolecularWeight: 465.6109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4O2S2/c1-18-12-13-21-22(26-31-25-21)24(18)32(29,30)28-16-14-27(15-17-28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,23H,14-17H2,1H3/p+1