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

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2,3-dimethylphenoxy)ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-17-7-6-10-20(18(17)2)27-15-21(24)22-11-13-23(14-12-22)28(25,26)16-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3