1-(2-chloranyl-5-methyl-4-methylsulfonyl-phenyl)piperidine-4-carboxylate

Systemtic Name: 1-(2-chloranyl-5-methyl-4-methylsulfonyl-phenyl)piperidine-4-carboxylate Openeye Name: 1-(2-chloro-5-methyl-4-methylsulfonyl-phenyl)piperidine-4-carboxylate CAS Name: 1-(2-chloro-5-methyl-4-methylsulfonylphenyl)-4-piperidinecarboxylate IUPAC Name: 1-(2-chloro-5-methyl-4-methylsulfonylphenyl)piperidine-4-carboxylate Traditional Name: 1-(2-chloro-4-mesyl-5-methyl-phenyl)isonipecotate Formula: C14H17ClNO4S- MolecularWeight: 330.80708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)C)Cl)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)C)Cl)N2CCC(CC2)C(=O)[O-]

InChI

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