2-chloranyl-5-[4-(chloromethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[4-(chloromethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[[4-(chloromethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-chloro-5-[[4-(chloromethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[4-(chloromethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-5-[4-(chloromethyl)piperidino]sulfonyl-benzoic acid Formula: C13H15Cl2NO4S MolecularWeight: 352.2335

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCl)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN(CCC1CCl)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H15Cl2NO4S/c14-8-9-3-5-16(6-4-9)21(19,20)10-1-2-12(15)11(7-10)13(17)18/h1-2,7,9H,3-6,8H2,(H,17,18)