ethyl 1-(4-bromanyl-3-ethoxy-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-bromanyl-3-ethoxy-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-bromo-3-ethoxy-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromo-3-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-bromo-3-ethoxy-phenyl)sulfonylisonipecotic acid ethyl ester Formula: C16H22BrNO5S MolecularWeight: 420.31858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO5S/c1-3-22-15-11-13(5-6-14(15)17)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