ethyl 1-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfonylphenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfonylphenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(3S)-1,1-dioxo-3-thiolanyl]sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3S)-1,1-diketothiolan-3-yl]sulfonylbenzoyl]isonipecotic acid ethyl ester Formula: C19H25NO7S2 MolecularWeight: 443.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C3CCS(=O)(=O)C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C19H25NO7S2/c1-2-27-19(22)15-7-10-20(11-8-15)18(21)14-3-5-16(6-4-14)29(25,26)17-9-12-28(23,24)13-17/h3-6,15,17H,2,7-13H2,1H3/t17-/m0/s1