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

Systemtic Name: 1-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonylisonipecotate Formula: C14H17BrNO5S- MolecularWeight: 391.25748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C14H18BrNO5S/c1-2-21-12-4-3-11(15)9-13(12)22(19,20)16-7-5-10(6-8-16)14(17)18/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)/p-1