(E)-3-(3,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-28-18-5-7-21(8-6-18)31(26,27)24-12-10-23(11-13-24)22(25)9-4-17-14-19(29-2)16-20(15-17)30-3/h4-9,14-16H,10-13H2,1-3H3/b9-4+