2-(3,4-dimethylphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dimethylphenoxy)-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H28N2O5S/c1-4-28-19-7-9-21(10-8-19)30(26,27)24-13-11-23(12-14-24)22(25)16-29-20-6-5-17(2)18(3)15-20/h5-10,15H,4,11-14,16H2,1-3H3