(E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-(4-tosylpiperazino)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)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O4S/c1-16-3-7-18(8-4-16)29(26,27)24-13-11-23(12-14-24)21(25)10-6-17-5-9-20(28-2)19(22)15-17/h3-10,15H,11-14H2,1-2H3/b10-6+