[(1R)-2-oxidanylidenecyclopentyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [(1R)-2-oxidanylidenecyclopentyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [(1R)-2-oxocyclopentyl] 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(1R)-2-oxocyclopentyl] ester IUPAC Name: [(1R)-2-oxocyclopentyl] 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid [(1R)-2-ketocyclopentyl] ester Formula: C18H22BrNO5S MolecularWeight: 444.33998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3CCCC3=O)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@@H]3CCCC3=O)Br

InChI

InChI=1S/C18H22BrNO5S/c1-12-7-9-20(10-8-12)26(23,24)17-11-13(5-6-14(17)19)18(22)25-16-4-2-3-15(16)21/h5-6,11-12,16H,2-4,7-10H2,1H3/t16-/m1/s1