N-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-piperidyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4-piperidinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-4-piperidyl]-4-fluoro-benzenesulfonamide Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21FN2O5S/c22-16-3-5-18(6-4-16)30(26,27)23-17-9-11-24(12-10-17)21(25)8-2-15-1-7-19-20(13-15)29-14-28-19/h1-8,13,17,23H,9-12,14H2/b8-2+