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

Systemtic Name: ethyl 1-(4-bromanyl-3-methyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-bromo-3-methyl-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromo-3-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonylisonipecotic acid ethyl ester Formula: C15H20BrNO4S MolecularWeight: 390.2926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO4S/c1-3-21-15(18)12-6-8-17(9-7-12)22(19,20)13-4-5-14(16)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3