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

Systemtic Name: ethyl 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]isonipecotic acid ethyl ester Formula: C12H16BrNO4S2 MolecularWeight: 382.29374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H16BrNO4S2/c1-2-18-12(15)9-5-7-14(8-6-9)20(16,17)11-4-3-10(13)19-11/h3-4,9H,2,5-8H2,1H3