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

Systemtic Name: 3-methyl-5-[4-methyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-1,2-oxazole Openeye Name: 5-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methyl-phenyl]-3-methyl-isoxazole CAS Name: 3-methyl-5-[4-methyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]isoxazole IUPAC Name: 5-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-(4-benzylpiperazino)sulfonyl-4-methyl-phenyl]-3-methyl-isoxazole Formula: C22H25N3O3S MolecularWeight: 411.5172

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-17-8-9-20(21-14-18(2)23-28-21)15-22(17)29(26,27)25-12-10-24(11-13-25)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3