(4-bromanyl-2-chloranyl-phenyl) 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-bromo-2-chloro-phenyl) 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (4-bromo-2-chloro-phenyl) ester Formula: C18H17BrClNO4S MolecularWeight: 458.75388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H17BrClNO4S/c19-14-7-8-17(16(20)12-14)25-18(22)13-5-4-6-15(11-13)26(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2