6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-3-methyl-1,3-benzoxazol-2-one IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Traditional Name: 3-methyl-6-(4-piperonylpiperazino)sulfonyl-1,3-benzoxazol-2-one Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O

InChI

InChI=1S/C20H21N3O6S/c1-21-16-4-3-15(11-18(16)29-20(21)24)30(25,26)23-8-6-22(7-9-23)12-14-2-5-17-19(10-14)28-13-27-17/h2-5,10-11H,6-9,12-13H2,1H3