methyl 1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxylate CAS Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxylate Traditional Name: 1-(3-chlorobenzyl)sulfonylisonipecotic acid methyl ester Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H18ClNO4S/c1-20-14(17)12-5-7-16(8-6-12)21(18,19)10-11-3-2-4-13(15)9-11/h2-4,9,12H,5-8,10H2,1H3