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

Systemtic Name: 3,4-dimethyl-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]-3,4-dimethyl-isoxazole CAS Name: 3,4-dimethyl-5-[4-methyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]isoxazole IUPAC Name: 5-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole Traditional Name: 5-[3-(4-benzylpiperazino)sulfonyl-4-methyl-phenyl]-3,4-dimethyl-isoxazole Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-17-9-10-21(23-18(2)19(3)24-29-23)15-22(17)30(27,28)26-13-11-25(12-14-26)16-20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3