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

Systemtic Name: (4-bromophenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-bromophenyl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (4-bromobenzyl) ester Formula: C19H19BrClNO4S MolecularWeight: 472.78046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C19H19BrClNO4S/c20-16-7-4-14(5-8-16)13-26-19(23)15-6-9-17(21)18(12-15)27(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2