2-(3,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]ethanone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H26N2O5S/c1-16-12-17(2)14-19(13-16)28-15-21(24)22-8-10-23(11-9-22)29(25,26)20-6-4-18(27-3)5-7-20/h4-7,12-14H,8-11,15H2,1-3H3