(4-bromophenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (4-bromophenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (4-bromophenyl)methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (4-bromobenzyl) ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4S/c21-18-8-4-17(5-9-18)15-26-20(23)14-16-6-10-19(11-7-16)27(24,25)22-12-2-1-3-13-22/h4-11H,1-3,12-15H2