3-(4-methylphenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole Openeye Name: 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(p-tolyl)isoxazole CAS Name: 3-(4-methylphenyl)-5-[(4-methylsulfonyl-1-piperazinyl)methyl]isoxazole IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole Traditional Name: 5-[(4-mesylpiperazino)methyl]-3-(p-tolyl)isoxazole Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H21N3O3S/c1-13-3-5-14(6-4-13)16-11-15(22-17-16)12-18-7-9-19(10-8-18)23(2,20)21/h3-6,11H,7-10,12H2,1-2H3