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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-ethylpiperazin-4-ium-1-yl)-2-(furan-2-yl)-1,3-oxazole Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-ethylpiperazin-4-ium-1-yl)-2-(2-furyl)oxazole CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-ethyl-1-piperazin-4-iumyl)-2-(2-furanyl)oxazole IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-ethylpiperazin-4-ium-1-yl)-2-(furan-2-yl)-1,3-oxazole Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-ethylpiperazin-4-ium-1-yl)-2-(2-furyl)oxazole Formula: C21H24N3O6S+ MolecularWeight: 446.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H23N3O6S/c1-2-23-7-9-24(10-8-23)21-20(22-19(30-21)17-4-3-11-27-17)31(25,26)15-5-6-16-18(14-15)29-13-12-28-16/h3-6,11,14H,2,7-10,12-13H2,1H3/p+1