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

Systemtic Name: N-[1-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-[(E)-2-cyano-3-(p-tolyl)prop-2-enoyl]-4-piperidyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[(E)-2-cyano-3-(4-methylphenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-[(E)-2-cyano-3-(p-tolyl)acryloyl]-4-piperidyl]-4-fluoro-benzenesulfonamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O3S/c1-16-2-4-17(5-3-16)14-18(15-24)22(27)26-12-10-20(11-13-26)25-30(28,29)21-8-6-19(23)7-9-21/h2-9,14,20,25H,10-13H2,1H3/b18-14+