2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=C(ON=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=C(ON=C3C)C

InChI

InChI=1S/C20H27N3O5S2/c1-4-27-17-5-7-18(8-6-17)30(25,26)23-11-9-22(10-12-23)20(24)14-29-13-19-15(2)21-28-16(19)3/h5-8H,4,9-14H2,1-3H3