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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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