1-[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]-4-methoxy-phenyl]ethanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(=O)C)OC

InChI

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