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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-oxazole CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methyl-1-piperazin-4-iumyl)-2-phenyloxazole IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-oxazole Formula: C22H24N3O5S+ MolecularWeight: 442.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-24-9-11-25(12-10-24)22-21(23-20(30-22)16-5-3-2-4-6-16)31(26,27)17-7-8-18-19(15-17)29-14-13-28-18/h2-8,15H,9-14H2,1H3/p+1