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

Systemtic Name: 3,5-dimethyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]sulfonyl-1,2-oxazole Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)sulfonyl-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]sulfonyl]isoxazole IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-(4-benzylsulfonylpiperazino)sulfonyl-3,5-dimethyl-isoxazole Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N3O5S2/c1-13-16(14(2)24-17-13)26(22,23)19-10-8-18(9-11-19)25(20,21)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3