1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanone

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanone Openeye Name: 2-(4-allyl-2-methoxy-phenoxy)-1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)-1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]ethanone Formula: C22H24ClFN2O5S MolecularWeight: 482.952763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H24ClFN2O5S/c1-3-4-16-5-8-20(21(13-16)30-2)31-15-22(27)25-9-11-26(12-10-25)32(28,29)17-6-7-19(24)18(23)14-17/h3,5-8,13-14H,1,4,9-12,15H2,2H3