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

Systemtic Name: ethyl 1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonylisonipecotic acid ethyl ester Formula: C16H22BrNO5S MolecularWeight: 420.31858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)Br)C)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)Br)C)OC

InChI

InChI=1S/C16H22BrNO5S/c1-4-23-16(19)12-5-7-18(8-6-12)24(20,21)15-10-13(17)11(2)9-14(15)22-3/h9-10,12H,4-8H2,1-3H3