3,5-dimethyl-4-[[4-(2-phenylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(2-phenylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(2-phenylphenyl)sulfonylpiperazin-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(2-phenylphenyl)sulfonyl-1-piperazinyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(2-phenylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(2-phenylphenyl)sulfonylpiperazino]methyl]isoxazole Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

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