3,5-dimethyl-4-[[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 4-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]methyl]isoxazole IUPAC Name: 4-[[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]methyl]-3,5-dimethyl-isoxazole Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3S2/c1-17-21(18(2)29-24-17)16-30-22-9-8-20(14-23-22)31(27,28)26-12-10-25(11-13-26)15-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3