[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C22H24BrNO5S MolecularWeight: 494.39866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO5S/c23-19-6-4-5-18(15-19)21(25)16-29-22(26)12-9-17-7-10-20(11-8-17)30(27,28)24-13-2-1-3-14-24/h4-8,10-11,15H,1-3,9,12-14,16H2