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

Systemtic Name: 5-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole Openeye Name: 5-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-thienyl]-3-methyl-isoxazole CAS Name: 5-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-3-methylisoxazole IUPAC Name: 5-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole Traditional Name: 3-methyl-5-[5-(4-piperonylpiperazino)sulfonyl-2-thienyl]isoxazole Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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