1-(4-bromanyl-3-propoxy-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(4-bromanyl-3-propoxy-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(4-bromo-3-propoxy-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-bromo-3-propoxyphenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(4-bromo-3-propoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-bromo-3-propoxy-phenyl)sulfonylisonipecotate Formula: C15H19BrNO5S- MolecularWeight: 405.28406

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)[O-])Br

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)[O-])Br

InChI

InChI=1S/C15H20BrNO5S/c1-2-9-22-14-10-12(3-4-13(14)16)23(20,21)17-7-5-11(6-8-17)15(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,18,19)/p-1