3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O3S2/c22-26(23,15-6-2-1-3-7-15)20-12-10-19(11-13-20)14-21-16-8-4-5-9-17(16)24-18(21)25/h1-9H,10-14H2/p+1