1-(4-chloranyl-3-methoxy-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(4-chloranyl-3-methoxy-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(4-chloro-3-methoxy-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(4-chloro-3-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-methoxy-phenyl)sulfonylisonipecotate Formula: C13H15ClNO5S- MolecularWeight: 332.7799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-20-12-8-10(2-3-11(12)14)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