N-[1-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-4-piperidyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[(E)-3-(2,3-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-[(E)-3-(2,3-dimethoxyphenyl)acryloyl]-4-piperidyl]-4-fluoro-benzenesulfonamide Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O5S/c1-29-20-5-3-4-16(22(20)30-2)6-11-21(26)25-14-12-18(13-15-25)24-31(27,28)19-9-7-17(23)8-10-19/h3-11,18,24H,12-15H2,1-2H3/b11-6+