(3-fluorophenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-fluorophenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (3-fluorophenyl)methyl 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid (3-fluorobenzyl) ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=CC=C2)F)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=CC=C2)F)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22FNO4S/c22-20-8-4-7-18(15-20)16-27-21(24)19-9-12-23(13-10-19)28(25,26)14-11-17-5-2-1-3-6-17/h1-8,11,14-15,19H,9-10,12-13,16H2/b14-11+