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

Systemtic Name: (4-chlorophenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-chlorophenyl)methyl 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid (4-chlorobenzyl) ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO4S/c22-20-8-6-18(7-9-20)16-27-21(24)19-10-13-23(14-11-19)28(25,26)15-12-17-4-2-1-3-5-17/h1-9,12,15,19H,10-11,13-14,16H2/b15-12+