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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C21H23FN2O4S/c1-28-20-9-7-17(15-19(20)22)8-10-21(25)23-11-13-24(14-12-23)29(26,27)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b10-8+