2-phenyl-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-phenyl-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-phenylthiazole IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[(4-besylpiperazin-1-ium-1-yl)methyl]-2-phenyl-thiazole Formula: C20H22N3O2S2+ MolecularWeight: 400.53758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S2/c24-27(25,19-9-5-2-6-10-19)23-13-11-22(12-14-23)15-18-16-26-20(21-18)17-7-3-1-4-8-17/h1-10,16H,11-15H2/p+1