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

Systemtic Name: 5-[3,4-bis(bromanyl)piperidin-1-yl]sulfonyl-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[(3,4-dibromo-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(3,4-dibromo-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(3,4-dibromopiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-5-(3,4-dibromopiperidino)sulfonyl-benzoic acid Formula: C12H12Br2ClNO4S MolecularWeight: 461.55398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1Br)Br)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN(CC(C1Br)Br)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H12Br2ClNO4S/c13-9-3-4-16(6-10(9)14)21(19,20)7-1-2-11(15)8(5-7)12(17)18/h1-2,5,9-10H,3-4,6H2,(H,17,18)