3-chloranyl-N-[2-fluoranyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl-phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-fluoranyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl-phenyl]benzamide Openeye Name: 3-chloro-N-[4-[4-[(E)-cinnamyl]piperazin-1-yl]sulfonyl-2-fluoro-phenyl]benzamide CAS Name: 3-chloro-N-[2-fluoro-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]sulfonyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[2-fluoro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]benzamide Traditional Name: 3-chloro-N-[4-[4-[(E)-cinnamyl]piperazino]sulfonyl-2-fluoro-phenyl]benzamide Formula: C26H25ClFN3O3S MolecularWeight: 514.011403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)F

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)F

InChI

InChI=1S/C26H25ClFN3O3S/c27-22-10-4-9-21(18-22)26(32)29-25-12-11-23(19-24(25)28)35(33,34)31-16-14-30(15-17-31)13-5-8-20-6-2-1-3-7-20/h1-12,18-19H,13-17H2,(H,29,32)/b8-5+