(1-cyclohexa-2,4-dien-1-yl-3-phenyl-propyl) 1-(phenylmethyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (1-cyclohexa-2,4-dien-1-yl-3-phenyl-propyl) 1-(phenylmethyl)sulfonylpiperidine-2-carboxylate Openeye Name: (1-cyclohexa-2,4-dien-1-yl-3-phenyl-propyl) 1-benzylsulfonylpiperidine-2-carboxylate CAS Name: 1-(phenylmethyl)sulfonyl-2-piperidinecarboxylic acid [1-(1-cyclohexa-2,4-dienyl)-3-phenylpropyl] ester IUPAC Name: (1-cyclohexa-2,4-dien-1-yl-3-phenylpropyl) 1-benzylsulfonylpiperidine-2-carboxylate Traditional Name: 1-benzylsulfonylpipecolinic acid (1-cyclohexa-2,4-dien-1-yl-3-phenyl-propyl) ester Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OC(CCC2=CC=CC=C2)C3CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)OC(CCC2=CC=CC=C2)C3CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H33NO4S/c30-28(26-18-10-11-21-29(26)34(31,32)22-24-14-6-2-7-15-24)33-27(25-16-8-3-9-17-25)20-19-23-12-4-1-5-13-23/h1-9,12-16,25-27H,10-11,17-22H2