(E)-3-(2-ethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-ethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-ethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-ethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-ethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(3-fluorophenyl)sulfonylpiperazino]-3-o-phenetyl-prop-2-en-1-one Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H23FN2O4S/c1-2-28-20-9-4-3-6-17(20)10-11-21(25)23-12-14-24(15-13-23)29(26,27)19-8-5-7-18(22)16-19/h3-11,16H,2,12-15H2,1H3/b11-10+