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

Systemtic Name: (E)-3-(2-ethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-ethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-ethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-ethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O4S/c1-2-28-20-6-4-3-5-17(20)7-12-21(25)23-13-15-24(16-14-23)29(26,27)19-10-8-18(22)9-11-19/h3-12H,2,13-16H2,1H3/b12-7+