1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(2,4,6-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-(2,4,6-trimethylphenoxy)ethanone Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H30N2O4S/c1-16-6-7-18(3)21(14-16)30(27,28)25-10-8-24(9-11-25)22(26)15-29-23-19(4)12-17(2)13-20(23)5/h6-7,12-14H,8-11,15H2,1-5H3