1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonylisonipecotate Formula: C14H17ClNO4S- MolecularWeight: 330.80708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C14H18ClNO4S/c1-9-8-13(10(2)7-12(9)15)21(19,20)16-5-3-11(4-6-16)14(17)18/h7-8,11H,3-6H2,1-2H3,(H,17,18)/p-1