[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H18BrNO5S2 MolecularWeight: 472.37322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H18BrNO5S2/c19-17-8-7-16(26-17)15(21)12-25-18(22)13-5-4-6-14(11-13)27(23,24)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10,12H2