quinolin-8-ylmethyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: quinolin-8-ylmethyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: 8-quinolylmethyl 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid 8-quinolylmethyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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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=CC5=C4N=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H26N2O4S/c28-25(31-17-22-7-2-5-19-8-3-13-26-24(19)22)20-11-14-27(15-12-20)32(29,30)23-10-9-18-4-1-6-21(18)16-23/h2-3,5,7-10,13,16,20H,1,4,6,11-12,14-15,17H2