2-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[(E)-cinnamyl]piperazin-1-yl]sulfonylphenyl]acetic acid CAS Name: 2-[3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]sulfonyl]phenyl]acetic acid IUPAC Name: 2-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetic acid Traditional Name: 2-[3-[4-[(E)-cinnamyl]piperazino]sulfonylphenyl]acetic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C21H24N2O4S/c24-21(25)17-19-8-4-10-20(16-19)28(26,27)23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-10,16H,11-15,17H2,(H,24,25)/b9-5+