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

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(5-bromo-2-methoxy-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(5-bromo-2-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(5-bromo-2-methoxy-phenyl)sulfonylisonipecotate Formula: C13H15BrNO5S- MolecularWeight: 377.2309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO5S/c1-20-11-3-2-10(14)8-12(11)21(18,19)15-6-4-9(5-7-15)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)/p-1