(3-cyanophenyl) 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-cyanophenyl) 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-cyanophenyl) 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid (3-cyanophenyl) ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OC4=CC=CC(=C4)C#N

InChI

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