1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-ethylphenoxy)ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-ethylphenoxy)ethanone Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-ethylphenoxy)ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(3-ethylphenoxy)ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-ethylphenoxy)ethanone Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-(3-ethylphenoxy)ethanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-4-19-6-5-7-20(15-19)28-16-22(25)23-10-12-24(13-11-23)29(26,27)21-9-8-17(2)18(3)14-21/h5-9,14-15H,4,10-13,16H2,1-3H3