2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid 2-phthalimidoethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H21N3O6S/c25-19-17-5-1-2-6-18(17)20(26)24(19)12-13-30-21(27)15-7-10-23(11-8-15)31(28,29)16-4-3-9-22-14-16/h1-6,9,14-15H,7-8,10-13H2