ethyl 1-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(5-bromo-2-ethoxy-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonylnipecotic acid ethyl ester Formula: C16H22BrNO5S MolecularWeight: 420.31858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C16H22BrNO5S/c1-3-22-14-8-7-13(17)10-15(14)24(20,21)18-9-5-6-12(11-18)16(19)23-4-2/h7-8,10,12H,3-6,9,11H2,1-2H3