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

Systemtic Name: (phenylmethyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: benzyl 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid benzyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c23-21(26-17-19-9-5-2-6-10-19)20-11-14-22(15-12-20)27(24,25)16-13-18-7-3-1-4-8-18/h1-10,13,16,20H,11-12,14-15,17H2/b16-13+