3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 5-(2-thienyl)-3-[(4-tosylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S2/c1-15-4-6-17(7-5-15)27(23,24)22-10-8-21(9-11-22)14-16-13-18(25-20-16)19-3-2-12-26-19/h2-7,12-13H,8-11,14H2,1H3/p+1