(4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-4-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-isonipecotic acid (4-cyanobenzyl) ester Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C28H26N2O6S/c29-19-21-6-8-22(9-7-21)20-36-27(31)28(23-4-2-1-3-5-23)12-14-30(15-13-28)37(32,33)24-10-11-25-26(18-24)35-17-16-34-25/h1-11,18H,12-17,20H2