5-[3,4-bis(chloranyl)piperidin-1-yl]sulfonyl-2-chloranyl-benzoic acid

Systemtic Name: 5-[3,4-bis(chloranyl)piperidin-1-yl]sulfonyl-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[(3,4-dichloro-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(3,4-dichloro-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(3,4-dichloropiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-5-(3,4-dichloropiperidino)sulfonyl-benzoic acid Formula: C12H12Cl3NO4S MolecularWeight: 372.65198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1Cl)Cl)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN(CC(C1Cl)Cl)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H12Cl3NO4S/c13-9-2-1-7(5-8(9)12(17)18)21(19,20)16-4-3-10(14)11(15)6-16/h1-2,5,10-11H,3-4,6H2,(H,17,18)