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

Systemtic Name: ethyl (3S)-1-(5-bromanyl-2-methyl-phenyl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-bromo-2-methyl-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(5-bromo-2-methylphenyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5-bromo-2-methylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(5-bromo-2-methyl-phenyl)sulfonylnipecotic acid ethyl ester Formula: C15H20BrNO4S MolecularWeight: 390.2926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)Br)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)Br)C

InChI

InChI=1S/C15H20BrNO4S/c1-3-21-15(18)12-5-4-8-17(10-12)22(19,20)14-9-13(16)7-6-11(14)2/h6-7,9,12H,3-5,8,10H2,1-2H3/t12-/m0/s1