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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1Br)Br)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN(C(CC1Br)Br)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

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