2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3,4-dimethoxyphenyl)ethanone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O5S/c1-27-19-9-8-18(14-20(19)28-2)15-21(24)22-10-12-23(13-11-22)29(25,26)16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3