3-(3,4-dimethoxyphenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(E)-styryl]sulfonylpiperazino]propan-1-one Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O5S/c1-29-21-10-8-20(18-22(21)30-2)9-11-23(26)24-13-15-25(16-14-24)31(27,28)17-12-19-6-4-3-5-7-19/h3-8,10,12,17-18H,9,11,13-16H2,1-2H3/b17-12+