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

Systemtic Name: pyridin-2-ylmethyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: 2-pyridylmethyl 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid 2-pyridylmethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C21H24N2O4S/c24-21(27-15-19-6-1-2-11-22-19)17-9-12-23(13-10-17)28(25,26)20-8-7-16-4-3-5-18(16)14-20/h1-2,6-8,11,14,17H,3-5,9-10,12-13,15H2