1-[(4-chlorophenyl)methyl]-4-sulfonyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-sulfonyl-piperidine-3-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-4-sulfonyl-piperidine-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-4-sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-4-sulfonyl-nipecotic acid Formula: C13H14ClNO4S MolecularWeight: 315.77256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1=S(=O)=O)C(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CC(C1=S(=O)=O)C(=O)O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClNO4S/c14-10-3-1-9(2-4-10)7-15-6-5-12(20(18)19)11(8-15)13(16)17/h1-4,11H,5-8H2,(H,16,17)