2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole

Systemtic Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3-benzoxazole IUPAC Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C16H18N3O3S2+ MolecularWeight: 364.46242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N3O3S2/c20-24(21,16-6-3-11-23-16)19-9-7-18(8-10-19)12-15-17-13-4-1-2-5-14(13)22-15/h1-6,11H,7-10,12H2/p+1