methyl 1-(3-iodanyl-4-methoxy-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(3-iodanyl-4-methoxy-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(3-iodo-4-methoxy-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-iodo-4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-iodo-4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-iodo-4-methoxy-phenyl)sulfonylisonipecotic acid methyl ester Formula: C14H18INO5S MolecularWeight: 439.26589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)I

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)I

InChI

InChI=1S/C14H18INO5S/c1-20-13-4-3-11(9-12(13)15)22(18,19)16-7-5-10(6-8-16)14(17)21-2/h3-4,9-10H,5-8H2,1-2H3