[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C19H20BrNO5S2 MolecularWeight: 486.3998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H20BrNO5S2/c1-13-5-6-14(11-17(13)28(24,25)21-9-3-2-4-10-21)19(23)26-12-15(22)16-7-8-18(20)27-16/h5-8,11H,2-4,9-10,12H2,1H3