(E)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-3-(2-methoxy-5-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(3-fluorophenyl)sulfonylpiperazino]-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H23FN2O4S/c1-16-6-8-20(28-2)17(14-16)7-9-21(25)23-10-12-24(13-11-23)29(26,27)19-5-3-4-18(22)15-19/h3-9,14-15H,10-13H2,1-2H3/b9-7+