(4-bromophenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-bromophenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-bromophenyl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-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=CC(=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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