(4-nitrophenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl) 1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]isonipecotic acid (4-nitrophenyl) ester Formula: C16H15BrN2O6S2 MolecularWeight: 475.3341

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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=C(S3)Br

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H15BrN2O6S2/c17-14-5-6-15(26-14)27(23,24)18-9-7-11(8-10-18)16(20)25-13-3-1-12(2-4-13)19(21)22/h1-6,11H,7-10H2