2-methyl-2-[2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl-phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl-phenoxy]propanoic acid Openeye Name: 2-[4-[4-[(E)-cinnamyl]piperazin-1-yl]sulfonyl-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-methyl-2-[2-methyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]sulfonyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenoxy]propanoic acid Traditional Name: 2-[4-[4-[(E)-cinnamyl]piperazino]sulfonyl-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)OC(C)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-19-18-21(11-12-22(19)31-24(2,3)23(27)28)32(29,30)26-16-14-25(15-17-26)13-7-10-20-8-5-4-6-9-20/h4-12,18H,13-17H2,1-3H3,(H,27,28)/b10-7+