(2-bromophenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-bromophenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-bromophenyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-bromophenyl) 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)CCC(=O)OC3=CC=CC=C3Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4S/c21-18-6-2-3-7-19(18)26-20(23)13-10-16-8-11-17(12-9-16)27(24,25)22-14-4-1-5-15-22/h2-3,6-9,11-12H,1,4-5,10,13-15H2