1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-chloro-4-ethoxy-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3-chloro-4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-chloro-4-ethoxy-phenyl)sulfonylisonipecotic acid Formula: C14H18ClNO5S MolecularWeight: 347.81442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Cl

InChI

InChI=1S/C14H18ClNO5S/c1-2-21-13-4-3-11(9-12(13)15)22(19,20)16-7-5-10(6-8-16)14(17)18/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)