(2-bromophenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-bromophenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-bromophenyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-bromophenyl) ester Formula: C18H17BrClNO4S MolecularWeight: 458.75388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC=C3Br)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C18H17BrClNO4S/c19-14-6-2-3-7-16(14)25-18(22)13-8-9-15(20)17(12-13)26(23,24)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2