quinolin-8-ylmethyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: quinolin-8-ylmethyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 8-quinolylmethyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 8-quinolylmethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4S/c25-22(28-16-19-7-4-6-17-8-5-13-23-21(17)19)18-11-14-24(15-12-18)29(26,27)20-9-2-1-3-10-20/h1-10,13,18H,11-12,14-16H2