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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-(4-piperonylpiperazino)sulfonyl-isoxazole Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N3O5S/c1-12-17(13(2)25-18-12)26(21,22)20-7-5-19(6-8-20)10-14-3-4-15-16(9-14)24-11-23-15/h3-4,9H,5-8,10-11H2,1-2H3