(4-nitrophenyl)methyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(8-quinolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(8-quinolinylsulfonyl)-4-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(8-quinolylsulfonyl)isonipecotic acid (4-nitrobenzyl) ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H21N3O6S/c26-22(31-15-16-6-8-19(9-7-16)25(27)28)18-10-13-24(14-11-18)32(29,30)20-5-1-3-17-4-2-12-23-21(17)20/h1-9,12,18H,10-11,13-15H2