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

Systemtic Name: 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-4-methylphenyl]-3-methylisoxazole IUPAC Name: 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole Traditional Name: 3-methyl-5-[4-methyl-3-(4-piperonylpiperazino)sulfonyl-phenyl]isoxazole Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O5S/c1-16-3-5-19(21-11-17(2)24-31-21)13-23(16)32(27,28)26-9-7-25(8-10-26)14-18-4-6-20-22(12-18)30-15-29-20/h3-6,11-13H,7-10,14-15H2,1-2H3