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

Systemtic Name: (4-cyanophenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid (4-cyanobenzyl) ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c23-16-19-6-8-20(9-7-19)17-28-22(25)21-10-13-24(14-11-21)29(26,27)15-12-18-4-2-1-3-5-18/h1-9,12,15,21H,10-11,13-14,17H2/b15-12+