6-bromanyl-2-chloranyl-3-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 6-bromanyl-2-chloranyl-3-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 6-bromo-2-chloro-3-(1-piperidylsulfonyl)benzoic acid CAS Name: 6-bromo-2-chloro-3-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 6-bromo-2-chloro-3-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 6-bromo-2-chloro-3-piperidinosulfonyl-benzoic acid Formula: C12H13BrClNO4S MolecularWeight: 382.65792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)Br)C(=O)O)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)Br)C(=O)O)Cl

InChI

InChI=1S/C12H13BrClNO4S/c13-8-4-5-9(11(14)10(8)12(16)17)20(18,19)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2,(H,16,17)