5-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole

Systemtic Name: 5-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole Openeye Name: 5-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3-thienyl]isoxazole CAS Name: 5-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-3-thiophenyl]isoxazole IUPAC Name: 5-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole Traditional Name: 5-[5-(4-piperonylpiperazino)sulfonyl-3-thienyl]isoxazole Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CS4)C5=CC=NO5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CS4)C5=CC=NO5

InChI

InChI=1S/C19H19N3O5S2/c23-29(24,19-10-15(12-28-19)16-3-4-20-27-16)22-7-5-21(6-8-22)11-14-1-2-17-18(9-14)26-13-25-17/h1-4,9-10,12H,5-8,11,13H2