ethyl 1-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(5-bromo-2-ethoxy-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonylisonipecotic 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)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C16H22BrNO5S/c1-3-22-14-6-5-13(17)11-15(14)24(20,21)18-9-7-12(8-10-18)16(19)23-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3