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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C22H26N2O5S MolecularWeight: 430.51724

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-17-4-8-19(9-5-17)30(26,27)24-14-12-23(13-15-24)22(25)11-7-18-6-10-20(28-2)21(16-18)29-3/h4-11,16H,12-15H2,1-3H3/b11-7+