4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)oxazole CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-yloxazole IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)oxazole Formula: C20H22N3O5S2+ MolecularWeight: 448.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H21N3O5S2/c1-22-6-8-23(9-7-22)20-19(21-18(28-20)17-3-2-12-29-17)30(24,25)14-4-5-15-16(13-14)27-11-10-26-15/h2-5,12-13H,6-11H2,1H3/p+1