[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-methoxy-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methoxy-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-methoxy-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-piperidinosulfonyl-benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22BrNO6S/c1-28-19-10-7-16(13-20(19)30(26,27)23-11-3-2-4-12-23)21(25)29-14-18(24)15-5-8-17(22)9-6-15/h5-10,13H,2-4,11-12,14H2,1H3