(4-nitrophenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-nitrophenyl) ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H16N2O6S2/c19-16(24-14-5-3-13(4-6-14)18(20)21)12-7-9-17(10-8-12)26(22,23)15-2-1-11-25-15/h1-6,11-12H,7-10H2