[(3S)-2-oxidanylideneoxolan-3-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3CCOC3=O

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@H]3CCOC3=O

InChI

InChI=1S/C17H20N2O7S/c1-12(20)18-6-8-19(9-7-18)27(23,24)14-4-2-3-13(11-14)16(21)26-15-5-10-25-17(15)22/h2-4,11,15H,5-10H2,1H3/t15-/m0/s1