[(3S)-2-oxidanylideneoxolan-3-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2CCOC2=O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H]2CCOC2=O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21NO6S/c1-12-5-6-13(16(19)24-14-7-10-23-17(14)20)11-15(12)25(21,22)18-8-3-2-4-9-18/h5-6,11,14H,2-4,7-10H2,1H3/t14-/m0/s1